(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C14H18N2O4S2 — CID 41111102

IUPAC(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O4S2/c1-10(2)13(14(17)15-9-11-5-3-7-20-11)16-22(18,19)12-6-4-8-21-12/h3-8,10,13,16H,9H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyOHHNUHRXVAGSHJ-ZDUSSCGKSA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds7

About (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 41111102) has the molecular formula C14H18N2O4S2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID41111102
Molecular FormulaC14H18N2O4S2
Molecular Weight342.44 g/mol
Exact Mass342.07
IUPAC Name(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O4S2/c1-10(2)13(14(17)15-9-11-5-3-7-20-11)16-22(18,19)12-6-4-8-21-12/h3-8,10,13,16H,9H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyOHHNUHRXVAGSHJ-ZDUSSCGKSA-N
XLogP1.96
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349246
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 30462247
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24586253
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 41111102) is (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is OHHNUHRXVAGSHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O4S2/c1-10(2)13(14(17)15-9-11-5-3-7-20-11)16-22(18,19)12-6-4-8-21-12/h3-8,10,13,16H,9H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 342.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 41111102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).