N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

C24H26ClN3O4S — CID 3215322

IUPACN-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-4-24(2,3)27-23(31)21(18-7-5-13-32-18)28(17-11-9-16(25)10-12-17)20(29)15-26-22(30)19-8-6-14-33-19/h5-14,21H,4,15H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyGEMQMXIOSGXXJO-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.80
Rot. Bonds9

About N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3215322) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3215322
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H26ClN3O4S/c1-4-24(2,3)27-23(31)21(18-7-5-13-32-18)28(17-11-9-16(25)10-12-17)20(29)15-26-22(30)19-8-6-14-33-19/h5-14,21H,4,15H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyGEMQMXIOSGXXJO-UHFFFAOYSA-N
XLogP4.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]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-[2-(3-chloro-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 25314919
N-[2-[4-[(2R)-butan-2-yl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 25314970
N-[2-[4-[(2S)-butan-2-yl]-N-[(1S)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 25314987
methyl 4-[[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-[2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 4985438
N-[2-[2,3-dihydro-1,4-benzodioxin-6-yl-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215329
N-[2-[N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 3215312
N-[2-[N-[(1R)-1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 25314817
N-[2-(4-acetamido-N-[(1S)-2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108910
N-[2-[1,3-benzodioxol-5-yl-[(1R)-2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 25317120
N-[2-(4-fluoro-N-[1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3228319
N-[2-(3-fluoro-N-[2-(2-methylbutan-2-ylamino)-1-(4-methylphenyl)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215826
N-[2-(3,4-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 98108702

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3215322) is N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is GEMQMXIOSGXXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-4-24(2,3)27-23(31)21(18-7-5-13-32-18)28(17-11-9-16(25)10-12-17)20(29)15-26-22(30)19-8-6-14-33-19/h5-14,21H,4,15H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 488.01 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-N-[1-(furan-2-yl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3215322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).