N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide

C20H19ClN4O5S2 — CID 55492908

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O5S2/c1-30-16-7-4-13(19(27)25-20-24-15(11-31-20)9-18(22)26)8-17(16)32(28,29)23-10-12-2-5-14(21)6-3-12/h2-8,11,23H,9-10H2,1H3,(H2,22,26)(H,24,25,27)
InChIKeyYDJSKTDNBMRWJT-UHFFFAOYSA-N
MW494.98 g/mol
LogP2.56
Rot. Bonds9

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide (PubChem CID 55492908) has the molecular formula C20H19ClN4O5S2 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
PubChem CID55492908
Molecular FormulaC20H19ClN4O5S2
Molecular Weight494.98 g/mol
Exact Mass494.05
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN4O5S2/c1-30-16-7-4-13(19(27)25-20-24-15(11-31-20)9-18(22)26)8-17(16)32(28,29)23-10-12-2-5-14(21)6-3-12/h2-8,11,23H,9-10H2,1H3,(H2,22,26)(H,24,25,27)
InChIKeyYDJSKTDNBMRWJT-UHFFFAOYSA-N
XLogP2.56
TPSA140.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 26045727
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 18139552
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide (CID 55492908) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide?
The InChIKey is YDJSKTDNBMRWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O5S2/c1-30-16-7-4-13(19(27)25-20-24-15(11-31-20)9-18(22)26)8-17(16)32(28,29)23-10-12-2-5-14(21)6-3-12/h2-8,11,23H,9-10H2,1H3,(H2,22,26)(H,24,25,27).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide has a molecular weight of 494.98 g/mol, XLogP of 2.56, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide is sourced from PubChem (CID 55492908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).