2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide

C9H14ClN3O3S2 — CID 113406898

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)12-8(14)6(3)13-18(15,16)7-4-11-9(10)17-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyVWQZUXMBPQWBEY-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.99
Rot. Bonds5

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 113406898) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID113406898
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-5(2)12-8(14)6(3)13-18(15,16)7-4-11-9(10)17-7/h4-6,13H,1-3H3,(H,12,14)
InChIKeyVWQZUXMBPQWBEY-UHFFFAOYSA-N
XLogP0.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 124573274
2-ethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-sulfonamide
CID 128583191
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61047616
N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121525439
(2S)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433448
(2R)-N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433449
2-(Acetamidomethyl)-1,3-thiazole-5-sulfonyl chloride
CID 22245084
N-[2-(5-sulfinamoyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 153588475
1-[4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]ethanone
CID 43427516
4-[(2-Chloro-1,3-thiazol-5-yl)sulfonyl]piperazin-2-one
CID 43427528
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 43429069
2-[(2-Chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 43455786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide (CID 113406898) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is VWQZUXMBPQWBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-5(2)12-8(14)6(3)13-18(15,16)7-4-11-9(10)17-7/h4-6,13H,1-3H3,(H,12,14).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 311.82 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).