2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide

C24H25ClN4O2S — CID 11317340

IUPAC2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
SMILESCNCC1(c2ccc(NC(=O)C(NC(=O)Nc3ccc(Cl)s3)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H25ClN4O2S/c1-26-15-24(13-14-24)17-7-9-18(10-8-17)27-22(30)21(16-5-3-2-4-6-16)29-23(31)28-20-12-11-19(25)32-20/h2-12,21,26H,13-15H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyBHLNIUABOGRGJP-UHFFFAOYSA-N
MW469.01 g/mol
LogP5.15
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide

2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide (PubChem CID 11317340) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
PubChem CID11317340
Molecular FormulaC24H25ClN4O2S
Molecular Weight469.01 g/mol
Exact Mass468.14
IUPAC Name2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide
SMILESCNCC1(c2ccc(NC(=O)C(NC(=O)Nc3ccc(Cl)s3)c3ccccc3)cc2)CC1
InChIInChI=1S/C24H25ClN4O2S/c1-26-15-24(13-14-24)17-7-9-18(10-8-17)27-22(30)21(16-5-3-2-4-6-16)29-23(31)28-20-12-11-19(25)32-20/h2-12,21,26H,13-15H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyBHLNIUABOGRGJP-UHFFFAOYSA-N
XLogP5.15
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.01
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide 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-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]cyclopropyl]phenyl]-2-phenylacetamide
CID 11238504
5-chloro-N-[2-[4-[1-[(dimethylamino)methyl]cyclopropyl]anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 11190555
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[[2-(dimethylamino)acetyl]-methylamino]phenyl]-2-phenylacetamide
CID 11318014
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[(E)-N'-methoxy-N,N-dimethylcarbamimidoyl]phenyl]-2-phenylacetamide
CID 87856277
(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10096868
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(2,2-dimethylhydrazinyl)phenyl]-2-phenylacetamide
CID 90820759
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55911766
4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
CID 116989151
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]-N,2-diphenylacetamide
CID 87036337
N-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]benzamide
CID 15658553

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide (CID 11317340) is 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide is CNCC1(c2ccc(NC(=O)C(NC(=O)Nc3ccc(Cl)s3)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide?
The InChIKey is BHLNIUABOGRGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-26-15-24(13-14-24)17-7-9-18(10-8-17)27-22(30)21(16-5-3-2-4-6-16)29-23(31)28-20-12-11-19(25)32-20/h2-12,21,26H,13-15H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide?
2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide has a molecular weight of 469.01 g/mol, XLogP of 5.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-[1-(methylaminomethyl)cyclopropyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 11317340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).