2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C16H21N3O3S2 — CID 47031545

IUPAC2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-4-5-6-14-17-11(2)15(23-14)16(20)18-12-7-9-13(10-8-12)19-24(3,21)22/h7-10,19H,4-6H2,1-3H3,(H,18,20)
InChIKeyKVDRTSGWOYGXAX-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.42
Rot. Bonds7

About 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47031545) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47031545
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC Name2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H21N3O3S2/c1-4-5-6-14-17-11(2)15(23-14)16(20)18-12-7-9-13(10-8-12)19-24(3,21)22/h7-10,19H,4-6H2,1-3H3,(H,18,20)
InChIKeyKVDRTSGWOYGXAX-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773344
2-butyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55688150
2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60547724
2-butyl-4-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 56556375
2-butyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55686055
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639
2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 55881436
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
CID 56543406
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 47066160
2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55684953

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47031545) is 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KVDRTSGWOYGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-4-5-6-14-17-11(2)15(23-14)16(20)18-12-7-9-13(10-8-12)19-24(3,21)22/h7-10,19H,4-6H2,1-3H3,(H,18,20).
What are the key properties of 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47031545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).