(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide

C17H29ClN2O3S — CID 97349330

IUPAC(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide
SMILESCCN(CC)[C@@H](CNS(=O)(=O)[C@H](C)CCOC)c1ccccc1Cl
InChIInChI=1S/C17H29ClN2O3S/c1-5-20(6-2)17(15-9-7-8-10-16(15)18)13-19-24(21,22)14(3)11-12-23-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3/t14-,17+/m1/s1
InChIKeyMWLDDNNOMPEXDF-PBHICJAKSA-N
MW376.95 g/mol
LogP3.07
Rot. Bonds11

About (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide

(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide (PubChem CID 97349330) has the molecular formula C17H29ClN2O3S and a molecular weight of 376.95 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide
PubChem CID97349330
Molecular FormulaC17H29ClN2O3S
Molecular Weight376.95 g/mol
Exact Mass376.16
IUPAC Name(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide
SMILESCCN(CC)[C@@H](CNS(=O)(=O)[C@H](C)CCOC)c1ccccc1Cl
InChIInChI=1S/C17H29ClN2O3S/c1-5-20(6-2)17(15-9-7-8-10-16(15)18)13-19-24(21,22)14(3)11-12-23-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3/t14-,17+/m1/s1
InChIKeyMWLDDNNOMPEXDF-PBHICJAKSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 43062063
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]butane-1-sulfonamide
CID 60568297
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]thiophene-2-sulfonamide
CID 26192906
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 16960227
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybenzamide
CID 42279457
1-(2-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827062
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3,4-dimethoxybenzamide
CID 18161543
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56547079
(2S)-2-(benzenesulfonamido)-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]propanamide
CID 55934835

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide?
The IUPAC name of (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide (CID 97349330) is (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide.
What is the SMILES notation for (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide?
The canonical SMILES for (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide is CCN(CC)[C@@H](CNS(=O)(=O)[C@H](C)CCOC)c1ccccc1Cl.
What is the InChIKey of (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide?
The InChIKey is MWLDDNNOMPEXDF-PBHICJAKSA-N. The full InChI is InChI=1S/C17H29ClN2O3S/c1-5-20(6-2)17(15-9-7-8-10-16(15)18)13-19-24(21,22)14(3)11-12-23-4/h7-10,14,17,19H,5-6,11-13H2,1-4H3/t14-,17+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide?
(2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide has a molecular weight of 376.95 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-methoxybutane-2-sulfonamide is sourced from PubChem (CID 97349330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).