2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide

C20H17ClN2OS — CID 66551656

IUPAC2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H17ClN2OS/c21-14-8-6-12(7-9-14)16-17(20(24)23-15-10-11-15)19(22)25-18(16)13-4-2-1-3-5-13/h1-9,15H,10-11,22H2,(H,23,24)
InChIKeyRJMIVPWMKYKHBY-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.21
Rot. Bonds4

About 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide

2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide (PubChem CID 66551656) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide
PubChem CID66551656
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
InChIInChI=1S/C20H17ClN2OS/c21-14-8-6-12(7-9-14)16-17(20(24)23-15-10-11-15)19(22)25-18(16)13-4-2-1-3-5-13/h1-9,15H,10-11,22H2,(H,23,24)
InChIKeyRJMIVPWMKYKHBY-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
5-(4-chlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
CID 711220
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
(2-Amino-4-((4-cyclohexylpiperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068880
2-amino-4,5-bis(4-chlorophenyl)-N-cyclopropylthiophene-3-carboxamide
CID 60165326
p53-MDM2 inhibitor MCL0527-3
CID 60168728
2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 802301
2-amino-5-benzyl-N-cyclohexylthiophene-3-carboxamide
CID 53383652
4-(2,4-Dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide
CID 1245647
2-[[2-[[(4-Chlorophenyl)-phenylmethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 16268713
5-(4-chlorophenyl)-N-cyclohexyl-2-ureidothiophene-3-carboxamide
CID 52947366
[2-Amino-4,5-bis(4-chlorophenyl)thiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 66551462

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide (CID 66551656) is 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide is Nc1sc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide?
The InChIKey is RJMIVPWMKYKHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-14-8-6-12(7-9-14)16-17(20(24)23-15-10-11-15)19(22)25-18(16)13-4-2-1-3-5-13/h1-9,15H,10-11,22H2,(H,23,24).
What are the key properties of 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide?
2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide has a molecular weight of 368.89 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-N-cyclopropyl-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 66551656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).