(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C17H27NO3S2 — CID 164638421

IUPAC(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](C(=O)N(C)Cc1cccs1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H27NO3S2/c1-13(2)16(23(20,21)15-9-5-4-6-10-15)17(19)18(3)12-14-8-7-11-22-14/h7-8,11,13,15-16H,4-6,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeyUHFMZNBQJOAINB-INIZCTEOSA-N
MW357.54 g/mol
LogP3.48
Rot. Bonds6

About (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 164638421) has the molecular formula C17H27NO3S2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID164638421
Molecular FormulaC17H27NO3S2
Molecular Weight357.54 g/mol
Exact Mass357.14
IUPAC Name(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](C(=O)N(C)Cc1cccs1)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C17H27NO3S2/c1-13(2)16(23(20,21)15-9-5-4-6-10-15)17(19)18(3)12-14-8-7-11-22-14/h7-8,11,13,15-16H,4-6,9-10,12H2,1-3H3/t16-/m0/s1
InChIKeyUHFMZNBQJOAINB-INIZCTEOSA-N
XLogP3.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 164638421) is (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)[C@@H](C(=O)N(C)Cc1cccs1)S(=O)(=O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is UHFMZNBQJOAINB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO3S2/c1-13(2)16(23(20,21)15-9-5-4-6-10-15)17(19)18(3)12-14-8-7-11-22-14/h7-8,11,13,15-16H,4-6,9-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
(2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 357.54 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexylsulfonyl-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 164638421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).