N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide

C21H23N3O5S — CID 142011693

IUPACN-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O5S/c25-19(15-24-14-6-2-5-9-20(24)26)22-17-10-12-18(13-11-17)30(28,29)23-21(27)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,22,25)(H,23,27)
InChIKeyXEZBLRBGGYQKID-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.15
Rot. Bonds6

About N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide

N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide (PubChem CID 142011693) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide
PubChem CID142011693
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide
SMILESO=C(CN1CCCCCC1=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O5S/c25-19(15-24-14-6-2-5-9-20(24)26)22-17-10-12-18(13-11-17)30(28,29)23-21(27)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,22,25)(H,23,27)
InChIKeyXEZBLRBGGYQKID-UHFFFAOYSA-N
XLogP2.15
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 119222971
4-[[2-(2-oxopiperidin-1-yl)acetyl]amino]benzamide
CID 110689860
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337
3-(benzenesulfonyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]propanehydrazide
CID 9218962
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
2-(2-oxoazepan-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 71888287
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide (CID 142011693) is N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide is O=C(CN1CCCCCC1=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide?
The InChIKey is XEZBLRBGGYQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c25-19(15-24-14-6-2-5-9-20(24)26)22-17-10-12-18(13-11-17)30(28,29)23-21(27)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,22,25)(H,23,27).
What are the key properties of N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide?
N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-oxoazepan-1-yl)acetyl]amino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 142011693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).