3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide

C16H17NO3S2 — CID 154748631

IUPAC3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)c1sccc1C1CC1
InChIInChI=1S/C16H17NO3S2/c1-22(19,20)10-12-4-2-3-5-14(12)17-16(18)15-13(8-9-21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,18)
InChIKeyBVJQAVDHKWAIFP-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.42
Rot. Bonds5

About 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 154748631) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID154748631
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC Name3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide
SMILESCS(=O)(=O)Cc1ccccc1NC(=O)c1sccc1C1CC1
InChIInChI=1S/C16H17NO3S2/c1-22(19,20)10-12-4-2-3-5-14(12)17-16(18)15-13(8-9-21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,18)
InChIKeyBVJQAVDHKWAIFP-UHFFFAOYSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 75493724
3-cyclopropyl-N-methylthiophene-2-carboxamide
CID 130634247
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
methyl 2-[4-[(3-cyclopropylthiophene-2-carbonyl)amino]phenoxy]acetate
CID 51095429
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
2-(2-methylphenyl)-N-[2-(methylsulfonylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 95171393
N-(2-aminoethyl)-3-cyclopropylthiophene-2-carboxamide;hydrochloride
CID 119383881
3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 110903804
3-cyclopropyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide
CID 120828095
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide (CID 154748631) is 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide is CS(=O)(=O)Cc1ccccc1NC(=O)c1sccc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is BVJQAVDHKWAIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-22(19,20)10-12-4-2-3-5-14(12)17-16(18)15-13(8-9-21-15)11-6-7-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(methylsulfonylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 154748631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).