(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide

C23H30FN3O3S — CID 90065178

IUPAC(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
SMILESC[C@H](c1cc(CCCNO)c(-c2ccccc2F)s1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C23H30FN3O3S/c1-15(27(17-8-9-17)23(28)20-14-25-11-12-30-20)21-13-16(5-4-10-26-29)22(31-21)18-6-2-3-7-19(18)24/h2-3,6-7,13,15,17,20,25-26,29H,4-5,8-12,14H2,1H3/t15-,20-/m1/s1
InChIKeyZGHHIODPPUWGSX-FOIQADDNSA-N
MW447.58 g/mol
LogP3.51
Rot. Bonds9

About (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide (PubChem CID 90065178) has the molecular formula C23H30FN3O3S and a molecular weight of 447.58 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
PubChem CID90065178
Molecular FormulaC23H30FN3O3S
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
SMILESC[C@H](c1cc(CCCNO)c(-c2ccccc2F)s1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C23H30FN3O3S/c1-15(27(17-8-9-17)23(28)20-14-25-11-12-30-20)21-13-16(5-4-10-26-29)22(31-21)18-6-2-3-7-19(18)24/h2-3,6-7,13,15,17,20,25-26,29H,4-5,8-12,14H2,1H3/t15-,20-/m1/s1
InChIKeyZGHHIODPPUWGSX-FOIQADDNSA-N
XLogP3.51
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[3-[5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(3-fluoro-2-hydroxyphenyl)thiophen-3-yl]propyl]carbamate
CID 90065299
(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 144588370
2-[3-(3-aminopropyl)-5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]thiophen-2-yl]benzoic acid
CID 90065146
azane;methyl N-[3-[2-(4-carbamimidoylphenyl)-5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate
CID 162126898
methyl N-[3-[5-[1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-pyridin-3-ylthiophen-2-yl]propyl]carbamate
CID 118313850
methyl (2S,6R)-6-[cyclopropyl-[(1R)-1-[4-[3-(methoxycarbonylamino)propyl]-5-phenylthiophen-2-yl]ethyl]carbamoyl]morpholine-2-carboxylate
CID 73437841
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 90065007
(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide
CID 144588397
methyl N-[3-[2-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(2-fluorophenyl)-1,3-thiazol-4-yl]propyl]carbamate
CID 158088246
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
(2R)-N-cyclopropyl-N-[(1R)-1-[4-[2-(hydroxyamino)ethoxy]-5,6,7,8-tetrahydroquinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 118457699
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide (CID 90065178) is (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide is C[C@H](c1cc(CCCNO)c(-c2ccccc2F)s1)N(C(=O)[C@H]1CNCCO1)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide?
The InChIKey is ZGHHIODPPUWGSX-FOIQADDNSA-N. The full InChI is InChI=1S/C23H30FN3O3S/c1-15(27(17-8-9-17)23(28)20-14-25-11-12-30-20)21-13-16(5-4-10-26-29)22(31-21)18-6-2-3-7-19(18)24/h2-3,6-7,13,15,17,20,25-26,29H,4-5,8-12,14H2,1H3/t15-,20-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 90065178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).