2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide

C21H27N3O2S — CID 8996748

IUPAC2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC[C@H](C)c1ccc([C@@H](NCC(=O)NC(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C21H27N3O2S/c1-3-14(2)15-6-8-16(9-7-15)20(18-5-4-12-27-18)22-13-19(25)24-21(26)23-17-10-11-17/h4-9,12,14,17,20,22H,3,10-11,13H2,1-2H3,(H2,23,24,25,26)/t14-,20+/m0/s1
InChIKeyUIHJLRQFQZYONY-VBKZILBWSA-N
MW385.53 g/mol
LogP3.93
Rot. Bonds8

About 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide

2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 8996748) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID8996748
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCC[C@H](C)c1ccc([C@@H](NCC(=O)NC(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C21H27N3O2S/c1-3-14(2)15-6-8-16(9-7-15)20(18-5-4-12-27-18)22-13-19(25)24-21(26)23-17-10-11-17/h4-9,12,14,17,20,22H,3,10-11,13H2,1-2H3,(H2,23,24,25,26)/t14-,20+/m0/s1
InChIKeyUIHJLRQFQZYONY-VBKZILBWSA-N
XLogP3.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide 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

2-[[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8834404
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8996916
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 8996675
N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8996651
N-cyclopropyl-2-[[2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetyl]amino]benzamide
CID 40919469
N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126196
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]propanamide
CID 8769306
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8769587

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide (CID 8996748) is 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide is CC[C@H](C)c1ccc([C@@H](NCC(=O)NC(=O)NC2CC2)c2cccs2)cc1.
What is the InChIKey of 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is UIHJLRQFQZYONY-VBKZILBWSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-3-14(2)15-6-8-16(9-7-15)20(18-5-4-12-27-18)22-13-19(25)24-21(26)23-17-10-11-17/h4-9,12,14,17,20,22H,3,10-11,13H2,1-2H3,(H2,23,24,25,26)/t14-,20+/m0/s1.
What are the key properties of 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 385.53 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 8996748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).