N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C18H20Cl2N2O3S2 — CID 60618643

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20Cl2N2O3S2/c1-12(10-13-4-5-14(19)11-15(13)20)21-18(23)17-16(6-9-26-17)27(24,25)22-7-2-3-8-22/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,21,23)
InChIKeyMBKBDHZHXLSUIZ-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.20
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 60618643) has the molecular formula C18H20Cl2N2O3S2 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID60618643
Molecular FormulaC18H20Cl2N2O3S2
Molecular Weight447.41 g/mol
Exact Mass446.03
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H20Cl2N2O3S2/c1-12(10-13-4-5-14(19)11-15(13)20)21-18(23)17-16(6-9-26-17)27(24,25)22-7-2-3-8-22/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,21,23)
InChIKeyMBKBDHZHXLSUIZ-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60618882
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 47031140
3-[(3-morpholin-4-ylsulfonylthiophene-2-carbonyl)amino]butanoic acid
CID 119221163
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 91769681
N-[(1S)-1-cyano-2-methoxyethyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 97335513
(2S)-N-[(2S)-1-(2,4-dichlorophenyl)propan-2-yl]-2-methylsulfonylpropanamide
CID 95281623
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665731
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
4-fluoro-N-pentan-2-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42955661
4-fluoro-N-[(2R)-pentan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 37031936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 60618643) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is CC(Cc1ccc(Cl)cc1Cl)NC(=O)c1sccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MBKBDHZHXLSUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S2/c1-12(10-13-4-5-14(19)11-15(13)20)21-18(23)17-16(6-9-26-17)27(24,25)22-7-2-3-8-22/h4-6,9,11-12H,2-3,7-8,10H2,1H3,(H,21,23).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 60618643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).