2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide

C18H20ClN3O2S — CID 52947366

IUPAC2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H20ClN3O2S/c19-12-8-6-11(7-9-12)15-10-14(17(25-15)22-18(20)24)16(23)21-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H3,20,22,24)
InChIKeyDFMOKZMVVGNGJX-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.62
Rot. Bonds4

About 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide

2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide (PubChem CID 52947366) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide
PubChem CID52947366
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H20ClN3O2S/c19-12-8-6-11(7-9-12)15-10-14(17(25-15)22-18(20)24)16(23)21-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H3,20,22,24)
InChIKeyDFMOKZMVVGNGJX-UHFFFAOYSA-N
XLogP4.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
3-[6-acetyl-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-1,1-diethylurea
CID 9845766
1-(5-Phenyl-3-(phenylcarbamoyl)thiophen-2-yl)urea
CID 9923895
1-(3-Carbamoyl-5-(4-(piperidin-1-ylmethyl)phenyl)thiophen-2-yl)urea
CID 10109058
(S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(4-(piperidine-1-carbonyl)phenyl)thiophen-2-yl)urea
CID 11236402
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophenyl)thiophen-2-yl)urea
CID 11303495
(S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11349000

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide (CID 52947366) is 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide?
The InChIKey is DFMOKZMVVGNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c19-12-8-6-11(7-9-12)15-10-14(17(25-15)22-18(20)24)16(23)21-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,21,23)(H3,20,22,24).
What are the key properties of 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide has a molecular weight of 377.90 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-chlorophenyl)-N-cyclohexylthiophene-3-carboxamide is sourced from PubChem (CID 52947366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).