N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide

C16H19NO3S2 — CID 20680891

IUPACN-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S2/c1-16(2,3)22(19,20)14-10-9-13(21-14)11-17-15(18)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyGTERLHUHTRXHNS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.25
Rot. Bonds4

About N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide

N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide (PubChem CID 20680891) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide
PubChem CID20680891
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1
InChIInChI=1S/C16H19NO3S2/c1-16(2,3)22(19,20)14-10-9-13(21-14)11-17-15(18)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18)
InChIKeyGTERLHUHTRXHNS-UHFFFAOYSA-N
XLogP3.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide (CID 20680891) is N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide is CC(C)(C)S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide?
The InChIKey is GTERLHUHTRXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-16(2,3)22(19,20)14-10-9-13(21-14)11-17-15(18)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,17,18).
What are the key properties of N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide?
N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylsulfonylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 20680891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).