5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide

C16H26N2O3S2 — CID 110351436

IUPAC5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-4-13-7-8-15(22-13)23(20,21)17-14(11-12(2)3)16(19)18-9-5-6-10-18/h7-8,12,14,17H,4-6,9-11H2,1-3H3/t14-/m0/s1
InChIKeyONQVCWCBKBFLMA-AWEZNQCLSA-N
MW358.53 g/mol
LogP2.63
Rot. Bonds7

About 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide

5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide (PubChem CID 110351436) has the molecular formula C16H26N2O3S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
PubChem CID110351436
Molecular FormulaC16H26N2O3S2
Molecular Weight358.53 g/mol
Exact Mass358.14
IUPAC Name5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)s1
InChIInChI=1S/C16H26N2O3S2/c1-4-13-7-8-15(22-13)23(20,21)17-14(11-12(2)3)16(19)18-9-5-6-10-18/h7-8,12,14,17H,4-6,9-11H2,1-3H3/t14-/m0/s1
InChIKeyONQVCWCBKBFLMA-AWEZNQCLSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351659
(2R)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 78975611
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylpentanoic acid
CID 61454349
5-ethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]thiophene-2-sulfonamide
CID 110286882
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 25271984
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
4-tert-butyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351459
2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351682
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
2-[(5-ethylthiophen-2-yl)sulfonylamino]pentanoic acid
CID 54947261
2-[(5-ethylthiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 54947368
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide (CID 110351436) is 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCCC2)s1.
What is the InChIKey of 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is ONQVCWCBKBFLMA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O3S2/c1-4-13-7-8-15(22-13)23(20,21)17-14(11-12(2)3)16(19)18-9-5-6-10-18/h7-8,12,14,17H,4-6,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide?
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 358.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 110351436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).