N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide

C19H22N2O4S — CID 70019861

IUPACN-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide
SMILESNC(=O)C(CCCCS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c20-18(22)17(21-19(23)15-9-3-1-4-10-15)13-7-8-14-26(24,25)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H2,20,22)(H,21,23)
InChIKeyCYHIZCBDCZEPCK-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.91
Rot. Bonds9

About N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide

N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide (PubChem CID 70019861) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide
PubChem CID70019861
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide
SMILESNC(=O)C(CCCCS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4S/c20-18(22)17(21-19(23)15-9-3-1-4-10-15)13-7-8-14-26(24,25)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H2,20,22)(H,21,23)
InChIKeyCYHIZCBDCZEPCK-UHFFFAOYSA-N
XLogP1.91
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide
CID 121216577
N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
CID 2724353
N-[(2S)-1-amino-6-[(1-amino-2-chloroethylidene)amino]-1-oxohexan-2-yl]benzamide
CID 166634442
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
N-[(2S)-1-amino-5-[[amino-(chloroamino)methylidene]amino]-1-oxopentan-2-yl]benzamide
CID 71716214
N-[(2S)-1-amino-5-[[(E)-1-amino-2-chloroethenyl]amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 154706012
N-[1-amino-5-[[(E)-1-amino-2-chloroethenyl]amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 154703255
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
2-benzamido-4-ethylsulfonylbutanoic acid
CID 108731663
(2S)-2-[[4-(2-methoxyethylsulfonyl)benzoyl]amino]-3-phenylpropanoic acid
CID 119366395
N-[(3R)-1-(benzenesulfonyl)pentan-3-yl]-4-methylbenzamide
CID 96571573
methyl (2R)-2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 133109165

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide?
The IUPAC name of N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide (CID 70019861) is N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide.
What is the SMILES notation for N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide?
The canonical SMILES for N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide is NC(=O)C(CCCCS(=O)(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide?
The InChIKey is CYHIZCBDCZEPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c20-18(22)17(21-19(23)15-9-3-1-4-10-15)13-7-8-14-26(24,25)16-11-5-2-6-12-16/h1-6,9-12,17H,7-8,13-14H2,(H2,20,22)(H,21,23).
What are the key properties of N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide?
N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide has a molecular weight of 374.46 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-6-(benzenesulfonyl)-1-oxohexan-2-yl]benzamide is sourced from PubChem (CID 70019861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).