N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide

C18H21N3O5S — CID 108544713

IUPACN-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O5S/c1-27(24,25)19-15-7-5-14(6-8-15)17(22)20-9-3-10-21(12-11-20)18(23)16-4-2-13-26-16/h2,4-8,13,19H,3,9-12H2,1H3
InChIKeyAUYAADRCWURYDY-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.64
Rot. Bonds4

About N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide

N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 108544713) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
PubChem CID108544713
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O5S/c1-27(24,25)19-15-7-5-14(6-8-15)17(22)20-9-3-10-21(12-11-20)18(23)16-4-2-13-26-16/h2,4-8,13,19H,3,9-12H2,1H3
InChIKeyAUYAADRCWURYDY-UHFFFAOYSA-N
XLogP1.64
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 39968800
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide
CID 2650133
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
N-[4-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 9035306
benzyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568481
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide (CID 108544713) is N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is AUYAADRCWURYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-27(24,25)19-15-7-5-14(6-8-15)17(22)20-9-3-10-21(12-11-20)18(23)16-4-2-13-26-16/h2,4-8,13,19H,3,9-12H2,1H3.
What are the key properties of N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide?
N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 108544713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).