(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C24H31FN2O3S — CID 144588370

IUPAC(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)sc1-c1cccc(F)c1O
InChIInChI=1S/C24H31FN2O3S/c1-3-4-6-16-13-21(31-23(16)18-7-5-8-19(25)22(18)28)15(2)27(17-9-10-17)24(29)20-14-26-11-12-30-20/h5,7-8,13,15,17,20,26,28H,3-4,6,9-12,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyJXDMKKQTYTXZCW-FOIQADDNSA-N
MW446.59 g/mol
LogP4.64
Rot. Bonds8

About (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 144588370) has the molecular formula C24H31FN2O3S and a molecular weight of 446.59 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID144588370
Molecular FormulaC24H31FN2O3S
Molecular Weight446.59 g/mol
Exact Mass446.20
IUPAC Name(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)sc1-c1cccc(F)c1O
InChIInChI=1S/C24H31FN2O3S/c1-3-4-6-16-13-21(31-23(16)18-7-5-8-19(25)22(18)28)15(2)27(17-9-10-17)24(29)20-14-26-11-12-30-20/h5,7-8,13,15,17,20,26,28H,3-4,6,9-12,14H2,1-2H3/t15-,20-/m1/s1
InChIKeyJXDMKKQTYTXZCW-FOIQADDNSA-N
XLogP4.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
CID 90065178
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
(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide
CID 144588397
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-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
(2R)-N-[(Z,2R)-3-amino-5-(butylamino)-5-(3-fluorophenyl)pent-4-en-2-yl]-N-cyclopropylmorpholine-2-carboxamide
CID 144588393
(2R)-N-cyclopropyl-N-[(1R)-1-[6-ethyl-5-(4-methoxybutyl)-3-pyridinyl]ethyl]morpholine-2-carboxamide
CID 118313115
(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065237
(2R)-N-cyclopropyl-N-[(1R)-1-[6-methoxy-4-[3-(methoxyamino)propyl]quinolin-2-yl]ethyl]morpholine-2-carboxamide
CID 90065007

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 144588370) is (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is CCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)sc1-c1cccc(F)c1O.
What is the InChIKey of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is JXDMKKQTYTXZCW-FOIQADDNSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-3-4-6-16-13-21(31-23(16)18-7-5-8-19(25)22(18)28)15(2)27(17-9-10-17)24(29)20-14-26-11-12-30-20/h5,7-8,13,15,17,20,26,28H,3-4,6,9-12,14H2,1-2H3/t15-,20-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 144588370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).