(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide

C15H24N2O4S — CID 99614548

IUPAC(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)[C@H](C)N2CCCCCC2)c(C)o1
InChIInChI=1S/C15H24N2O4S/c1-11-10-14(13(3)21-11)22(19,20)16-15(18)12(2)17-8-6-4-5-7-9-17/h10,12H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyQDUFIMNXAMQIKI-LBPRGKRZSA-N
MW328.43 g/mol
LogP1.97
Rot. Bonds4

About (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide

(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide (PubChem CID 99614548) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide
PubChem CID99614548
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide
SMILESCc1cc(S(=O)(=O)NC(=O)[C@H](C)N2CCCCCC2)c(C)o1
InChIInChI=1S/C15H24N2O4S/c1-11-10-14(13(3)21-11)22(19,20)16-15(18)12(2)17-8-6-4-5-7-9-17/h10,12H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyQDUFIMNXAMQIKI-LBPRGKRZSA-N
XLogP1.97
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide?
The IUPAC name of (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide (CID 99614548) is (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide?
The canonical SMILES for (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide is Cc1cc(S(=O)(=O)NC(=O)[C@H](C)N2CCCCCC2)c(C)o1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide?
The InChIKey is QDUFIMNXAMQIKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-10-14(13(3)21-11)22(19,20)16-15(18)12(2)17-8-6-4-5-7-9-17/h10,12H,4-9H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide?
(2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide has a molecular weight of 328.43 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-N-(2,5-dimethylfuran-3-yl)sulfonylpropanamide is sourced from PubChem (CID 99614548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).