N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide

C17H26N2O4S — CID 129343325

IUPACN-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-9-12-23-16(13)17(20)18-10-4-7-15(8-11-18)19(24(2,21)22)14-5-3-6-14/h9,12,14-15H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyWLTSXJPDHMDJJA-HNNXBMFYSA-N
MW354.47 g/mol
LogP2.40
Rot. Bonds4

About N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide

N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide (PubChem CID 129343325) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
PubChem CID129343325
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide
SMILESCc1ccoc1C(=O)N1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O4S/c1-13-9-12-23-16(13)17(20)18-10-4-7-15(8-11-18)19(24(2,21)22)14-5-3-6-14/h9,12,14-15H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyWLTSXJPDHMDJJA-HNNXBMFYSA-N
XLogP2.40
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
N-cyclobutyl-N-[(4R)-1-(3-methylbenzoyl)azepan-4-yl]methanesulfonamide
CID 129333224
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
(1,1-dioxo-1,4-thiazepan-4-yl)-(3-methylfuran-2-yl)methanone
CID 138992019
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239
N-cyclobutyl-N-[1-(2-oxo-1H-pyridine-3-carbonyl)azepan-4-yl]methanesulfonamide
CID 128992384
[3-(2-chloroethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63396186
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide?
The IUPAC name of N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide (CID 129343325) is N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide is Cc1ccoc1C(=O)N1CCC[C@H](N(C2CCC2)S(C)(=O)=O)CC1.
What is the InChIKey of N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide?
The InChIKey is WLTSXJPDHMDJJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13-9-12-23-16(13)17(20)18-10-4-7-15(8-11-18)19(24(2,21)22)14-5-3-6-14/h9,12,14-15H,3-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide?
N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4S)-1-(3-methylfuran-2-carbonyl)azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 129343325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).