2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C17H23N3O3S2 — CID 1196160

IUPAC2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(C)C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H23N3O3S2/c1-12(2)18-17(21)15-11-24-16(19-15)10-20(13(3)4)25(22,23)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,18,21)
InChIKeyOOANFXVTAJZFSK-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.88
Rot. Bonds7

About 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 1196160) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID1196160
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(CN(C(C)C)S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C17H23N3O3S2/c1-12(2)18-17(21)15-11-24-16(19-15)10-20(13(3)4)25(22,23)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,18,21)
InChIKeyOOANFXVTAJZFSK-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 1196160) is 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(CN(C(C)C)S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is OOANFXVTAJZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-12(2)18-17(21)15-11-24-16(19-15)10-20(13(3)4)25(22,23)14-8-6-5-7-9-14/h5-9,11-13H,10H2,1-4H3,(H,18,21).
What are the key properties of 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzenesulfonyl(propan-2-yl)amino]methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1196160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).