N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

C18H23NO3S2 — CID 22583984

IUPACN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23NO3S2/c1-18(2,3)12-17(20)19-13-16(15-10-7-11-23-15)24(21,22)14-8-5-4-6-9-14/h4-11,16H,12-13H2,1-3H3,(H,19,20)
InChIKeyDRAYEPLNVPUWPM-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (PubChem CID 22583984) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
PubChem CID22583984
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC NameN-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23NO3S2/c1-18(2,3)12-17(20)19-13-16(15-10-7-11-23-15)24(21,22)14-8-5-4-6-9-14/h4-11,16H,12-13H2,1-3H3,(H,19,20)
InChIKeyDRAYEPLNVPUWPM-UHFFFAOYSA-N
XLogP3.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22584092
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
CID 7280102
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 40774888
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 40774886
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 9167306
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (CID 22583984) is N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The InChIKey is DRAYEPLNVPUWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-18(2,3)12-17(20)19-13-16(15-10-7-11-23-15)24(21,22)14-8-5-4-6-9-14/h4-11,16H,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide has a molecular weight of 365.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 22583984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).