2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide

C15H25N3O3S — CID 71078685

IUPAC2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCCNC(=O)C(N)CCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O3S/c1-3-17-15(19)14(16)6-4-5-11-18-22(20,21)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11,16H2,1-2H3,(H,17,19)
InChIKeyLPMNVYFTCYJSPK-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.91
Rot. Bonds9

About 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide

2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 71078685) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID71078685
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCCNC(=O)C(N)CCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O3S/c1-3-17-15(19)14(16)6-4-5-11-18-22(20,21)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11,16H2,1-2H3,(H,17,19)
InChIKeyLPMNVYFTCYJSPK-UHFFFAOYSA-N
XLogP0.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
2-amino-N-[2-(benzenesulfonamido)ethyl]pentanamide
CID 119279112
N-(4-aminobutyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120583806
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
N-(7-chloro-6-oxoheptyl)-4-methylbenzenesulfonamide
CID 3055648
methyl 3-methoxy-2-methylidene-8-[(4-methylphenyl)sulfonylamino]octanoate
CID 10361752
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
4-methyl-N-(5-methylhex-5-enyl)benzenesulfonamide
CID 100928656
4-methyl-N-[3-[2-[3-[(4-methylphenyl)sulfonylamino]propylamino]ethylamino]propyl]benzenesulfonamide
CID 10917846
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
3-[3-[(4-methylphenyl)sulfonylamino]propylcarbamoylamino]propanoic acid
CID 131908004

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 71078685) is 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide is CCNC(=O)C(N)CCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is LPMNVYFTCYJSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-3-17-15(19)14(16)6-4-5-11-18-22(20,21)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 327.45 g/mol, XLogP of 0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 71078685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).