N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

C10H17N3O3S2 — CID 60716435

IUPACN-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCCC(C)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O3S2/c1-4-7(2)11-9(14)5-8-6-17-10(12-8)13-18(3,15)16/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWZGFXSHHHFNXSG-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.97
Rot. Bonds6

About N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide

N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (PubChem CID 60716435) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
PubChem CID60716435
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC NameN-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SMILESCCC(C)NC(=O)Cc1csc(NS(C)(=O)=O)n1
InChIInChI=1S/C10H17N3O3S2/c1-4-7(2)11-9(14)5-8-6-17-10(12-8)13-18(3,15)16/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyWZGFXSHHHFNXSG-UHFFFAOYSA-N
XLogP0.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 93041415
3-hydroxy-2-[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 43357669
N-(1-hydroxy-4-methylpentan-2-yl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 61245747
2-[[[2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]methyl]butanoic acid
CID 65218128
N-(2-amino-2-oxoethoxy)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 112674449
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 25346591
N-(2,3-dihydroxy-2-methylpropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 66170440
N-[(1R)-1,4-diphenylbutyl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 51931287
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 138673654
N-(3-hydroxypropyl)-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 61038919
2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 61003397
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
CID 41063797

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide (CID 60716435) is N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is CCC(C)NC(=O)Cc1csc(NS(C)(=O)=O)n1.
What is the InChIKey of N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
The InChIKey is WZGFXSHHHFNXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-4-7(2)11-9(14)5-8-6-17-10(12-8)13-18(3,15)16/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide?
N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide has a molecular weight of 291.40 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 60716435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).