N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide

C18H22N4O3S — CID 38196534

IUPACN-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N4O3S/c1-12(2)20-18(25)22-14-7-5-13(6-8-14)21-16(23)9-10-19-17(24)15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,25)
InChIKeyICZMTCMCOGFBCB-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.04
Rot. Bonds7

About N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide

N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide (PubChem CID 38196534) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
PubChem CID38196534
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C18H22N4O3S/c1-12(2)20-18(25)22-14-7-5-13(6-8-14)21-16(23)9-10-19-17(24)15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,25)
InChIKeyICZMTCMCOGFBCB-UHFFFAOYSA-N
XLogP3.04
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]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-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide (CID 38196534) is N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide is CC(C)NC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide?
The InChIKey is ICZMTCMCOGFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12(2)20-18(25)22-14-7-5-13(6-8-14)21-16(23)9-10-19-17(24)15-4-3-11-26-15/h3-8,11-12H,9-10H2,1-2H3,(H,19,24)(H,21,23)(H2,20,22,25).
What are the key properties of N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide?
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 3.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 38196534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).