N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

C15H14Cl2N4O4S2 — CID 24598768

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N4O4S2/c16-10-5-11(17)12(27(24,25)21-7-1-2-7)4-9(10)14(23)20-15-19-8(6-26-15)3-13(18)22/h4-7,21H,1-3H2,(H2,18,22)(H,19,20,23)
InChIKeyUYNRRSGKXKJZJQ-UHFFFAOYSA-N
MW449.34 g/mol
LogP2.17
Rot. Bonds7

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (PubChem CID 24598768) has the molecular formula C15H14Cl2N4O4S2 and a molecular weight of 449.34 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
PubChem CID24598768
Molecular FormulaC15H14Cl2N4O4S2
Molecular Weight449.34 g/mol
Exact Mass447.98
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
SMILESNC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N4O4S2/c16-10-5-11(17)12(27(24,25)21-7-1-2-7)4-9(10)14(23)20-15-19-8(6-26-15)3-13(18)22/h4-7,21H,1-3H2,(H2,18,22)(H,19,20,23)
InChIKeyUYNRRSGKXKJZJQ-UHFFFAOYSA-N
XLogP2.17
TPSA131.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
N-[(4-bromothiophen-2-yl)methyl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 55866989
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3,4-dimethoxyphenyl)benzamide
CID 19258290
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(pyridin-2-ylmethyl)benzamide
CID 19257505
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 19257463
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-fluoro-4-methylphenyl)benzamide
CID 30866994
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide (CID 24598768) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is NC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
The InChIKey is UYNRRSGKXKJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O4S2/c16-10-5-11(17)12(27(24,25)21-7-1-2-7)4-9(10)14(23)20-15-19-8(6-26-15)3-13(18)22/h4-7,21H,1-3H2,(H2,18,22)(H,19,20,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide has a molecular weight of 449.34 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 24598768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).