N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

C23H21N5O2S — CID 134046116

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H21N5O2S/c24-23(30)27-18-8-4-16(5-9-18)13-25-22(29)17-6-10-20(11-7-17)31-15-19-14-28-12-2-1-3-21(28)26-19/h1-12,14H,13,15H2,(H,25,29)(H3,24,27,30)
InChIKeyKQQVTGXIKDCDFN-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.05
Rot. Bonds7

About N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (PubChem CID 134046116) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
PubChem CID134046116
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)Nc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H21N5O2S/c24-23(30)27-18-8-4-16(5-9-18)13-25-22(29)17-6-10-20(11-7-17)31-15-19-14-28-12-2-1-3-21(28)26-19/h1-12,14H,13,15H2,(H,25,29)(H3,24,27,30)
InChIKeyKQQVTGXIKDCDFN-UHFFFAOYSA-N
XLogP4.05
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide 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-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037219
N-[(2-ethoxy-4-pyridinyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55707737
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
2-chloro-N-[2-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]ethyl]benzamide
CID 35696945
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 55712102
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 31842029

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide (CID 134046116) is N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is NC(=O)Nc1ccc(CNC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
The InChIKey is KQQVTGXIKDCDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c24-23(30)27-18-8-4-16(5-9-18)13-25-22(29)17-6-10-20(11-7-17)31-15-19-14-28-12-2-1-3-21(28)26-19/h1-12,14H,13,15H2,(H,25,29)(H3,24,27,30).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide?
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 134046116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).