N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide

C16H20N2O2S2 — CID 110728027

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1csc(C2CC2)n1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,10-4-7-13-5-2-1-3-6-13)17-11-15-12-21-16(18-15)14-8-9-14/h1-3,5-6,12,14,17H,4,7-11H2
InChIKeyPHYCNTCSSJENRW-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.07
Rot. Bonds8

About N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110728027) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110728027
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCc1csc(C2CC2)n1
InChIInChI=1S/C16H20N2O2S2/c19-22(20,10-4-7-13-5-2-1-3-6-13)17-11-15-12-21-16(18-15)14-8-9-14/h1-3,5-6,12,14,17H,4,7-11H2
InChIKeyPHYCNTCSSJENRW-UHFFFAOYSA-N
XLogP3.07
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
CID 110719646
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
4-chloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728005
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110345821
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110728008
1-phenyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 2738760
2-(3-chlorophenyl)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110727994
N-[(2,4-dihydroxycyclopentyl)methyl]-3-phenylpropane-1-sulfonamide
CID 173341187

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide (CID 110728027) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is PHYCNTCSSJENRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c19-22(20,10-4-7-13-5-2-1-3-6-13)17-11-15-12-21-16(18-15)14-8-9-14/h1-3,5-6,12,14,17H,4,7-11H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110728027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).