(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

C16H22N2O4S2 — CID 110349246

IUPAC(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCCc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)s1
InChIInChI=1S/C16H22N2O4S2/c1-4-13-7-8-14(23-13)24(20,21)18-15(11(2)3)16(19)17-10-12-6-5-9-22-12/h5-9,11,15,18H,4,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyHDFVHCCXCAIWOE-HNNXBMFYSA-N
MW370.50 g/mol
LogP2.52
Rot. Bonds8

About (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide

(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 110349246) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID110349246
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Name(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCCc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)s1
InChIInChI=1S/C16H22N2O4S2/c1-4-13-7-8-14(23-13)24(20,21)18-15(11(2)3)16(19)17-10-12-6-5-9-22-12/h5-9,11,15,18H,4,10H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyHDFVHCCXCAIWOE-HNNXBMFYSA-N
XLogP2.52
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-hydroxybutanoic acid
CID 61072333
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-[(2-methylphenyl)methylsulfonylamino]butanamide
CID 110349251
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(2-methylpropanoylamino)butanamide
CID 110349165
2-[(5-ethylthiophen-2-yl)sulfonylamino]-3-methylpentanoic acid
CID 61063154
(2S)-2-[(4-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 110349256
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(3-phenylpropylsulfonylamino)butanamide
CID 110349260
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483
N-[(2R)-1-(furan-2-yl)propan-2-yl]-5-methylthiophene-2-sulfonamide
CID 34161122

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 110349246) is (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is CCc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccco2)C(C)C)s1.
What is the InChIKey of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is HDFVHCCXCAIWOE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-4-13-7-8-14(23-13)24(20,21)18-15(11(2)3)16(19)17-10-12-6-5-9-22-12/h5-9,11,15,18H,4,10H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide?
(2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 370.50 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-ethylthiophen-2-yl)sulfonylamino]-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 110349246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).