N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide

C15H21N3O4S — CID 3573154

IUPACN-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-12(19)16-14-4-6-15(7-5-14)23(21,22)18-9-3-8-17(10-11-18)13(2)20/h4-7H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyCIWFDBGYXGDPPL-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.89
Rot. Bonds3

About N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide

N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide (PubChem CID 3573154) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
PubChem CID3573154
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1
InChIInChI=1S/C15H21N3O4S/c1-12(19)16-14-4-6-15(7-5-14)23(21,22)18-9-3-8-17(10-11-18)13(2)20/h4-7H,3,8-11H2,1-2H3,(H,16,19)
InChIKeyCIWFDBGYXGDPPL-UHFFFAOYSA-N
XLogP0.89
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
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N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide
CID 4690747
1-[4-[4-(bromomethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone
CID 65482014
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433
N-[4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 26202323
N-(4-acetamidophenyl)-3-(4-acetylpiperazin-1-yl)sulfonylbenzamide
CID 19257265
1-[4-(3-chloro-4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 3831126
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide (CID 3573154) is N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide?
The InChIKey is CIWFDBGYXGDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-12(19)16-14-4-6-15(7-5-14)23(21,22)18-9-3-8-17(10-11-18)13(2)20/h4-7H,3,8-11H2,1-2H3,(H,16,19).
What are the key properties of N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide?
N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide is sourced from PubChem (CID 3573154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).