N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide

C19H25BrN2O4S2 — CID 24547346

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C19H25BrN2O4S2/c1-13(2)11-17(19(23)22(3)12-15-7-10-18(20)27-15)21-28(24,25)16-8-5-14(26-4)6-9-16/h5-10,13,17,21H,11-12H2,1-4H3
InChIKeyFDHKTUKGTIBFHH-UHFFFAOYSA-N
MW489.46 g/mol
LogP3.87
Rot. Bonds9

About N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide

N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide (PubChem CID 24547346) has the molecular formula C19H25BrN2O4S2 and a molecular weight of 489.46 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
PubChem CID24547346
Molecular FormulaC19H25BrN2O4S2
Molecular Weight489.46 g/mol
Exact Mass488.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
SMILESCOc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccc(Br)s2)cc1
InChIInChI=1S/C19H25BrN2O4S2/c1-13(2)11-17(19(23)22(3)12-15-7-10-18(20)27-15)21-28(24,25)16-8-5-14(26-4)6-9-16/h5-10,13,17,21H,11-12H2,1-4H3
InChIKeyFDHKTUKGTIBFHH-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide
CID 24550008
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 135877077
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 78792233
(2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 55938250
4-methoxy-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzenesulfonamide
CID 110285725
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N,2-dimethylbutanamide
CID 115156082
(2R)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanamide
CID 25387218
N-[(2S)-1-[(5-bromothiophen-2-yl)methyl-methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 30396608
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741
N-[(5-bromothiophen-2-yl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 55360534
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide (CID 24547346) is N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide is COc1ccc(S(=O)(=O)NC(CC(C)C)C(=O)N(C)Cc2ccc(Br)s2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
The InChIKey is FDHKTUKGTIBFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O4S2/c1-13(2)11-17(19(23)22(3)12-15-7-10-18(20)27-15)21-28(24,25)16-8-5-14(26-4)6-9-16/h5-10,13,17,21H,11-12H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide?
N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide has a molecular weight of 489.46 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 24547346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).