methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate

C23H34N2O4S — CID 158216437

IUPACmethyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc(C(C)N(C(=O)[C@H]2CCCCO2)C2CC2)sc1C1CC1
InChIInChI=1S/C23H34N2O4S/c1-15(25(18-10-11-18)22(26)19-7-3-4-13-29-19)20-14-17(21(30-20)16-8-9-16)6-5-12-24-23(27)28-2/h14-16,18-19H,3-13H2,1-2H3,(H,24,27)/t15?,19-/m1/s1
InChIKeyGCSCCOBCIMQUTP-XCWJXAQQSA-N
MW434.60 g/mol
LogP4.54
Rot. Bonds9

About methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate

methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate (PubChem CID 158216437) has the molecular formula C23H34N2O4S and a molecular weight of 434.60 g/mol. Its IUPAC name is methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate
PubChem CID158216437
Molecular FormulaC23H34N2O4S
Molecular Weight434.60 g/mol
Exact Mass434.22
IUPAC Namemethyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc(C(C)N(C(=O)[C@H]2CCCCO2)C2CC2)sc1C1CC1
InChIInChI=1S/C23H34N2O4S/c1-15(25(18-10-11-18)22(26)19-7-3-4-13-29-19)20-14-17(21(30-20)16-8-9-16)6-5-12-24-23(27)28-2/h14-16,18-19H,3-13H2,1-2H3,(H,24,27)/t15?,19-/m1/s1
InChIKeyGCSCCOBCIMQUTP-XCWJXAQQSA-N
XLogP4.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate with MolForge

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Related Compounds

methyl N-[3-[1-cyclohexyl-3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]pyrazol-5-yl]propyl]carbamate
CID 160884849
methyl N-[3-[2-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(3-fluorophenyl)-1,3-thiazol-4-yl]propyl]carbamate
CID 162265587
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
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-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(3-fluoro-2-hydroxyphenyl)thiophen-3-yl]propyl]carbamate
CID 90065299
methyl N-[3-[5-[1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-pyridin-3-ylthiophen-2-yl]propyl]carbamate
CID 118313850
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]-5-(2-phenylpropan-2-yl)pyrazol-1-yl]propyl]carbamate
CID 147403284
methyl N-[3-[4-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methoxypyrimidin-2-yl]propyl]carbamate
CID 118313239
(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
CID 90065178
methyl N-[2-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-methoxyphenoxy]ethyl]carbamate
CID 118313716
methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
CID 118313840
methyl N-[3-[4-[(1S)-1-[cyclopropyl-[(2R,6S)-6-[(dimethylamino)methyl]morpholine-2-carbonyl]amino]ethyl]-6-methoxy-2-pyridinyl]propyl]carbamate
CID 118313256

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate (CID 158216437) is methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate is COC(=O)NCCCc1cc(C(C)N(C(=O)[C@H]2CCCCO2)C2CC2)sc1C1CC1.
What is the InChIKey of methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate?
The InChIKey is GCSCCOBCIMQUTP-XCWJXAQQSA-N. The full InChI is InChI=1S/C23H34N2O4S/c1-15(25(18-10-11-18)22(26)19-7-3-4-13-29-19)20-14-17(21(30-20)16-8-9-16)6-5-12-24-23(27)28-2/h14-16,18-19H,3-13H2,1-2H3,(H,24,27)/t15?,19-/m1/s1.
What are the key properties of methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate?
methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate has a molecular weight of 434.60 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-cyclopropyl-5-[1-[cyclopropyl-[(2R)-oxane-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate is sourced from PubChem (CID 158216437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).