3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C16H20ClN3O3S2 — CID 56558319

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C16H20ClN3O3S2/c1-11(2)16-20-13(10-24-16)9-18-15(21)6-7-19-25(22,23)14-5-3-4-12(17)8-14/h3-5,8,10-11,19H,6-7,9H2,1-2H3,(H,18,21)
InChIKeySTJRDWSRSJYUEZ-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.90
Rot. Bonds8

About 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 56558319) has the molecular formula C16H20ClN3O3S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID56558319
Molecular FormulaC16H20ClN3O3S2
Molecular Weight401.94 g/mol
Exact Mass401.06
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cs1
InChIInChI=1S/C16H20ClN3O3S2/c1-11(2)16-20-13(10-24-16)9-18-15(21)6-7-19-25(22,23)14-5-3-4-12(17)8-14/h3-5,8,10-11,19H,6-7,9H2,1-2H3,(H,18,21)
InChIKeySTJRDWSRSJYUEZ-UHFFFAOYSA-N
XLogP2.90
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(3-acetamidophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55694254
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-pyridin-4-ylbenzenesulfonamide
CID 171386322
3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
CID 55834250
3-chloro-N-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 75441285
3-[(3-chlorophenyl)sulfonylamino]-N-heptan-2-ylpropanamide
CID 46515955
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
3-[(3-chlorophenyl)sulfonylamino]-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 30186906
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
3-[(3-chlorophenyl)sulfonylamino]-N-(3-imidazol-1-ylpropyl)propanamide
CID 51162141

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 56558319) is 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)c1nc(CNC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)cs1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is STJRDWSRSJYUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2/c1-11(2)16-20-13(10-24-16)9-18-15(21)6-7-19-25(22,23)14-5-3-4-12(17)8-14/h3-5,8,10-11,19H,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 401.94 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56558319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).