N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C20H27N3O2S — CID 119599088

IUPACN-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-14(2)11-20(3,13-21)23-18(24)16-8-6-15(7-9-16)12-22-19(25)17-5-4-10-26-17/h4-10,14H,11-13,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWOLBYWGMYUWTIW-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.17
Rot. Bonds8

About N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 119599088) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID119599088
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-14(2)11-20(3,13-21)23-18(24)16-8-6-15(7-9-16)12-22-19(25)17-5-4-10-26-17/h4-10,14H,11-13,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyWOLBYWGMYUWTIW-UHFFFAOYSA-N
XLogP3.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
N-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
CID 119599344
(2S)-4-methyl-2-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]pentanoic acid
CID 119361616
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-benzylthiophene-2-carboxamide
CID 574227
N-[[4-[[2-(aminomethyl)cyclopentyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 119603218
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 119599088) is N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CC(C)CC(C)(CN)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is WOLBYWGMYUWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14(2)11-20(3,13-21)23-18(24)16-8-6-15(7-9-16)12-22-19(25)17-5-4-10-26-17/h4-10,14H,11-13,21H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-amino-2,4-dimethylpentan-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 119599088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).