2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide

C16H21N3O3S2 — CID 49322441

IUPAC2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-4-14-19-12(3)15(23-14)16(20)17-9-10-18-24(21,22)13-7-5-11(2)6-8-13/h5-8,18H,4,9-10H2,1-3H3,(H,17,20)
InChIKeySXZUZGVQQRAYDF-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.03
Rot. Bonds7

About 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 49322441) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID49322441
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-4-14-19-12(3)15(23-14)16(20)17-9-10-18-24(21,22)13-7-5-11(2)6-8-13/h5-8,18H,4,9-10H2,1-3H3,(H,17,20)
InChIKeySXZUZGVQQRAYDF-UHFFFAOYSA-N
XLogP2.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49328580
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46542533
2-ethyl-4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 49324825
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55546001
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 16944803
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944828
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
CID 33429076
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
4-[ethylsulfonyl(methyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 100785424
N-(4-bromophenyl)sulfonyl-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 55823968

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide (CID 49322441) is 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SXZUZGVQQRAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-4-14-19-12(3)15(23-14)16(20)17-9-10-18-24(21,22)13-7-5-11(2)6-8-13/h5-8,18H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49322441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).