N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide

C21H22N4O4S3 — CID 30874619

IUPACN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1
InChIInChI=1S/C21H22N4O4S3/c1-4-10-23-32(28,29)17-7-5-6-15(11-17)20(27)25-21-24-19(13(2)30-21)18-9-8-16(31-18)12-22-14(3)26/h4-9,11,23H,1,10,12H2,2-3H3,(H,22,26)(H,24,25,27)
InChIKeyCUDIWLNCJIZFOR-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.53
Rot. Bonds9

About N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 30874619) has the molecular formula C21H22N4O4S3 and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID30874619
Molecular FormulaC21H22N4O4S3
Molecular Weight490.63 g/mol
Exact Mass490.08
IUPAC NameN-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1
InChIInChI=1S/C21H22N4O4S3/c1-4-10-23-32(28,29)17-7-5-6-15(11-17)20(27)25-21-24-19(13(2)30-21)18-9-8-16(31-18)12-22-14(3)26/h4-9,11,23H,1,10,12H2,2-3H3,(H,22,26)(H,24,25,27)
InChIKeyCUDIWLNCJIZFOR-UHFFFAOYSA-N
XLogP3.53
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-methylbenzamide
CID 37389788
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55596873
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35983340
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30874726
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 35999033
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 112818737
N-(5-methyl-1H-imidazol-2-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 71850107
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30874673
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26698278
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-[2-[[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30874585

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide (CID 30874619) is N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)c(C)s2)c1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is CUDIWLNCJIZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S3/c1-4-10-23-32(28,29)17-7-5-6-15(11-17)20(27)25-21-24-19(13(2)30-21)18-9-8-16(31-18)12-22-14(3)26/h4-9,11,23H,1,10,12H2,2-3H3,(H,22,26)(H,24,25,27).
What are the key properties of N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 490.63 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 30874619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).