N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C16H20N2O2S2 — CID 110718334

IUPACN-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C2CC2)S(=O)(=O)Cc2ccccc2C)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-3-4-6-14(12)11-22(19,20)18(16-7-8-16)9-15-10-21-13(2)17-15/h3-6,10,16H,7-9,11H2,1-2H3
InChIKeyBVKUPWDXVCMUPD-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.25
Rot. Bonds6

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

N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 110718334) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID110718334
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC NameN-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CN(C2CC2)S(=O)(=O)Cc2ccccc2C)cs1
InChIInChI=1S/C16H20N2O2S2/c1-12-5-3-4-6-14(12)11-22(19,20)18(16-7-8-16)9-15-10-21-13(2)17-15/h3-6,10,16H,7-9,11H2,1-2H3
InChIKeyBVKUPWDXVCMUPD-UHFFFAOYSA-N
XLogP3.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778
N-cyclopropyl-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718307
N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
CID 110723172
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 110718267
N-benzyl-N-cyclopropyl-2-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86855941
1-cyclopropyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-ylurea
CID 110747823
N-methyl-N-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]azepan-4-yl]-1-phenylmethanesulfonamide
CID 110248522
N-cyclopropyl-1-(1,4-dioxan-2-yl)-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 146149449
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
4-[(2-methylphenyl)methylsulfonylmethyl]-1,3-thiazole-2-carboxylic acid
CID 62771748

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 110718334) is N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is Cc1nc(CN(C2CC2)S(=O)(=O)Cc2ccccc2C)cs1.
What is the InChIKey of N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is BVKUPWDXVCMUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-12-5-3-4-6-14(12)11-22(19,20)18(16-7-8-16)9-15-10-21-13(2)17-15/h3-6,10,16H,7-9,11H2,1-2H3.
What are the key properties of N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 336.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110718334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).