1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

C14H14N2O3S2 — CID 3432300

IUPAC1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C14H14N2O3S2/c1-10-2-4-11(5-3-10)21(18,19)14(6-7-14)12(17)16-13-15-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyNJJMTRSGPWRFBX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.40
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 3432300) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID3432300
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C14H14N2O3S2/c1-10-2-4-11(5-3-10)21(18,19)14(6-7-14)12(17)16-13-15-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyNJJMTRSGPWRFBX-UHFFFAOYSA-N
XLogP2.40
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 3432300) is 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)C2(C(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NJJMTRSGPWRFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-10-2-4-11(5-3-10)21(18,19)14(6-7-14)12(17)16-13-15-8-9-20-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 3432300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).