N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

C19H25N3O2S — CID 9126196

IUPACN-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
SMILESCNC(=O)NC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)11-14-6-8-15(9-7-14)18(16-5-4-10-25-16)21-12-17(23)22-19(24)20-3/h4-10,13,18,21H,11-12H2,1-3H3,(H2,20,22,23,24)/t18-/m0/s1
InChIKeyCKCVIAZAHHYOHI-SFHVURJKSA-N
MW359.50 g/mol
LogP3.08
Rot. Bonds7

About N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide

N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 9126196) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
PubChem CID9126196
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
SMILESCNC(=O)NC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1
InChIInChI=1S/C19H25N3O2S/c1-13(2)11-14-6-8-15(9-7-14)18(16-5-4-10-25-16)21-12-17(23)22-19(24)20-3/h4-10,13,18,21H,11-12H2,1-3H3,(H2,20,22,23,24)/t18-/m0/s1
InChIKeyCKCVIAZAHHYOHI-SFHVURJKSA-N
XLogP3.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(methylcarbamoyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052211
N'-acetyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetohydrazide
CID 9126293
N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126324
[2-(methylcarbamoylamino)-2-oxoethyl]-[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]azanium
CID 9126198
N-(2-methoxyphenyl)-2-[[(R)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 41088668
N-(1-cyanocyclopentyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide
CID 9126261
2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8769587
methyl N-[2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetyl]carbamate
CID 8769482
(2R)-N-carbamoyl-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]propanamide
CID 9126245
2-[[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 8996748
N-[2-(methylamino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869471
2-[[(S)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8996919

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide (CID 9126196) is N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is CNC(=O)NC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1.
What is the InChIKey of N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is CKCVIAZAHHYOHI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(2)11-14-6-8-15(9-7-14)18(16-5-4-10-25-16)21-12-17(23)22-19(24)20-3/h4-10,13,18,21H,11-12H2,1-3H3,(H2,20,22,23,24)/t18-/m0/s1.
What are the key properties of N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide?
N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 9126196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).