(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride

C15H21Cl3N2O4S — CID 66975087

IUPAC(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCS(=O)(=O)CCNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O4S.ClH/c1-24(21,22)7-5-19-15(20)11-9-18-4-6-23-14(11)10-2-3-12(16)13(17)8-10;/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20);1H/t11-,14+;/m1./s1
InChIKeyOUKADEXZFSBPBC-GGMFNZDASA-N
MW431.77 g/mol
LogP1.85
Rot. Bonds5

About (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride

(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride (PubChem CID 66975087) has the molecular formula C15H21Cl3N2O4S and a molecular weight of 431.77 g/mol. Its IUPAC name is (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride
PubChem CID66975087
Molecular FormulaC15H21Cl3N2O4S
Molecular Weight431.77 g/mol
Exact Mass430.03
IUPAC Name(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride
SMILESCS(=O)(=O)CCNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H20Cl2N2O4S.ClH/c1-24(21,22)7-5-19-15(20)11-9-18-4-6-23-14(11)10-2-3-12(16)13(17)8-10;/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20);1H/t11-,14+;/m1./s1
InChIKeyOUKADEXZFSBPBC-GGMFNZDASA-N
XLogP1.85
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R,7R)-7-(4-chloro-3-fluorophenyl)-N-(2-methoxyethyl)-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66975964
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methylsulfonylacetamide;hydrochloride
CID 66975581
(6R,7R)-7-(3,4-dichlorophenyl)-N-[4-(trifluoromethyl)phenyl]sulfonyl-1,4-oxazepane-6-carboxamide
CID 66976491
N-[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]acetamide;hydrochloride
CID 66975995
methyl N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]carbamate
CID 67123358
1-[[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-3-ethylurea;hydrochloride
CID 66976464
N-[[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-methylsulfanylacetamide;hydrochloride
CID 66975489
[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methanol;hydrochloride
CID 77244075
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]cyclopropanecarboxamide
CID 66975679
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-oxopropanamide
CID 66976001
N-[(6R,7S)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]-2-phenylacetamide;hydrochloride
CID 66975235
2,2-bis[(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]acetic acid;hydrochloride
CID 66978414

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The IUPAC name of (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride (CID 66975087) is (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride.
What is the SMILES notation for (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The canonical SMILES for (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride is CS(=O)(=O)CCNC(=O)[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
The InChIKey is OUKADEXZFSBPBC-GGMFNZDASA-N. The full InChI is InChI=1S/C15H20Cl2N2O4S.ClH/c1-24(21,22)7-5-19-15(20)11-9-18-4-6-23-14(11)10-2-3-12(16)13(17)8-10;/h2-3,8,11,14,18H,4-7,9H2,1H3,(H,19,20);1H/t11-,14+;/m1./s1.
What are the key properties of (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride?
(6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride has a molecular weight of 431.77 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-7-(3,4-dichlorophenyl)-N-(2-methylsulfonylethyl)-1,4-oxazepane-6-carboxamide;hydrochloride is sourced from PubChem (CID 66975087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).