N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide

C19H27N5O4S2 — CID 18344833

IUPACN-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide
SMILESCc1nc(N(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H27N5O4S2/c1-12-16(30(27,28)23(5)6)29-18(20-12)24(7)17(26)21-14-10-8-13(9-11-14)15(25)22-19(2,3)4/h8-11H,1-7H3,(H,21,26)(H,22,25)
InChIKeyQPEFRLCUNQLXLN-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.90
Rot. Bonds5

About N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide

N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide (PubChem CID 18344833) has the molecular formula C19H27N5O4S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide
PubChem CID18344833
Molecular FormulaC19H27N5O4S2
Molecular Weight453.59 g/mol
Exact Mass453.15
IUPAC NameN-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide
SMILESCc1nc(N(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H27N5O4S2/c1-12-16(30(27,28)23(5)6)29-18(20-12)24(7)17(26)21-14-10-8-13(9-11-14)15(25)22-19(2,3)4/h8-11H,1-7H3,(H,21,26)(H,22,25)
InChIKeyQPEFRLCUNQLXLN-UHFFFAOYSA-N
XLogP2.90
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide with MolForge

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Related Compounds

1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344787
3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344825
1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 18344657
N-[4-(tert-butylcarbamoyl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 38255180
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
methyl 2-[[4-(tert-butylcarbamoyl)benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 48850323
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
4-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 6978549

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide (CID 18344833) is N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide is Cc1nc(N(C)C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)sc1S(=O)(=O)N(C)C.
What is the InChIKey of N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide?
The InChIKey is QPEFRLCUNQLXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S2/c1-12-16(30(27,28)23(5)6)29-18(20-12)24(7)17(26)21-14-10-8-13(9-11-14)15(25)22-19(2,3)4/h8-11H,1-7H3,(H,21,26)(H,22,25).
What are the key properties of N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide?
N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide has a molecular weight of 453.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-methylcarbamoyl]amino]benzamide is sourced from PubChem (CID 18344833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).