N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide

C14H15ClN2O3S2 — CID 70121238

IUPACN-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)17-12-6-7-21-13(12)14(18)16-11-5-3-4-10(15)8-11/h3-9,17H,1-2H3,(H,16,18)
InChIKeyOCTACRPRSAVDIH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.80
Rot. Bonds5

About N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide

N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide (PubChem CID 70121238) has the molecular formula C14H15ClN2O3S2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
PubChem CID70121238
Molecular FormulaC14H15ClN2O3S2
Molecular Weight358.87 g/mol
Exact Mass358.02
IUPAC NameN-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide
SMILESCC(C)S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)17-12-6-7-21-13(12)14(18)16-11-5-3-4-10(15)8-11/h3-9,17H,1-2H3,(H,16,18)
InChIKeyOCTACRPRSAVDIH-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
N-(3-chlorophenyl)-3-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]thiophene-2-carboxamide;N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]thiophene-2-carboxamide
CID 70130170
3-(benzenesulfonamido)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 70129893
N-(3-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10316510
N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
CID 70122226
4-amino-N-(3-chlorophenyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116668436
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide (CID 70121238) is N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide is CC(C)S(=O)(=O)Nc1ccsc1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide?
The InChIKey is OCTACRPRSAVDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S2/c1-9(2)22(19,20)17-12-6-7-21-13(12)14(18)16-11-5-3-4-10(15)8-11/h3-9,17H,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide?
N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(propan-2-ylsulfonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 70121238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).