N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide

C19H22N4O2S — CID 51184324

IUPACN-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2S/c1-12(2)17(18-21-13-6-3-4-7-14(13)22-18)23-16(24)9-10-20-19(25)15-8-5-11-26-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyPSZACRNBKLEPRJ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.26
Rot. Bonds7

About N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 51184324) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID51184324
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H22N4O2S/c1-12(2)17(18-21-13-6-3-4-7-14(13)22-18)23-16(24)9-10-20-19(25)15-8-5-11-26-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyPSZACRNBKLEPRJ-UHFFFAOYSA-N
XLogP3.26
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide 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

N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 18116431
N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7998445
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 40720173
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
3-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]propanamide;dihydrochloride
CID 119854046
2-amino-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 119854033
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
1-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 124505879
1-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(2-methylsulfonylethyl)urea
CID 122133776
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 51923975
ethyl N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-3-oxopropyl]carbamate
CID 51087826
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide (CID 51184324) is N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide is CC(C)C(NC(=O)CCNC(=O)c1cccs1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is PSZACRNBKLEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-12(2)17(18-21-13-6-3-4-7-14(13)22-18)23-16(24)9-10-20-19(25)15-8-5-11-26-15/h3-8,11-12,17H,9-10H2,1-2H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 51184324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).