N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

C18H23N3O4S — CID 96580597

IUPACN-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)on1
InChIInChI=1S/C18H23N3O4S/c1-14-11-16(25-20-14)12-18(22)19-15-7-5-6-10-21(13-15)26(23,24)17-8-3-2-4-9-17/h2-4,8-9,11,15H,5-7,10,12-13H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyDXKVRMNSYWCWBS-OAHLLOKOSA-N
MW377.47 g/mol
LogP1.89
Rot. Bonds5

About N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 96580597) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID96580597
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(CC(=O)N[C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)on1
InChIInChI=1S/C18H23N3O4S/c1-14-11-16(25-20-14)12-18(22)19-15-7-5-6-10-21(13-15)26(23,24)17-8-3-2-4-9-17/h2-4,8-9,11,15H,5-7,10,12-13H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyDXKVRMNSYWCWBS-OAHLLOKOSA-N
XLogP1.89
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131939712
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465241
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 166042846
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
N-[2-(azepan-1-yl)-2-phenylethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 118762980
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
1-(4-fluorophenyl)sulfonyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 49083017

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 96580597) is N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(CC(=O)N[C@@H]2CCCCN(S(=O)(=O)c3ccccc3)C2)on1.
What is the InChIKey of N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is DXKVRMNSYWCWBS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14-11-16(25-20-14)12-18(22)19-15-7-5-6-10-21(13-15)26(23,24)17-8-3-2-4-9-17/h2-4,8-9,11,15H,5-7,10,12-13H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide?
N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(benzenesulfonyl)azepan-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 96580597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).