2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide

C23H31N3O6S — CID 652344

IUPAC2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O6S/c1-2-8-21(23(28)24-15-18-9-6-13-31-18)26(17-19-10-7-14-32-19)22(27)16-25-33(29,30)20-11-4-3-5-12-20/h3-5,7,10-12,14,18,21,25H,2,6,8-9,13,15-17H2,1H3,(H,24,28)
InChIKeyDYAWPMXASXKKGN-UHFFFAOYSA-N
MW477.58 g/mol
LogP2.05
Rot. Bonds12

About 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide

2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide (PubChem CID 652344) has the molecular formula C23H31N3O6S and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
PubChem CID652344
Molecular FormulaC23H31N3O6S
Molecular Weight477.58 g/mol
Exact Mass477.19
IUPAC Name2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide
SMILESCCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H31N3O6S/c1-2-8-21(23(28)24-15-18-9-6-13-31-18)26(17-19-10-7-14-32-19)22(27)16-25-33(29,30)20-11-4-3-5-12-20/h3-5,7,10-12,14,18,21,25H,2,6,8-9,13,15-17H2,1H3,(H,24,28)
InChIKeyDYAWPMXASXKKGN-UHFFFAOYSA-N
XLogP2.05
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide
CID 146171280
2-(4-Fluoro-benzenesulfonylamino)-N-furan-2-ylmethyl-N-(phenethylcarbamoyl-methyl)-acetamide
CID 653223
4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
CID 1128083
3-[[(3,4-dimethoxyphenyl)sulfonyl](2-furylmethyl)amino]-N-methylpropanamide
CID 2822846
3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807529
2-[Ethyl-(4-methoxy-benzenesulfonyl)-amino]-N-furan-2-ylmethyl-acetamide
CID 6493385
N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
N-(2-furylmethyl)-1-(2-naphthylsulfonyl)prolinamide
CID 2921998
N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
CID 3239602

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The IUPAC name of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide (CID 652344) is 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide is CCCC(C(=O)NCC1CCCO1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
The InChIKey is DYAWPMXASXKKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6S/c1-2-8-21(23(28)24-15-18-9-6-13-31-18)26(17-19-10-7-14-32-19)22(27)16-25-33(29,30)20-11-4-3-5-12-20/h3-5,7,10-12,14,18,21,25H,2,6,8-9,13,15-17H2,1H3,(H,24,28).
What are the key properties of 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide?
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide has a molecular weight of 477.58 g/mol, XLogP of 2.05, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)pentanamide is sourced from PubChem (CID 652344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).