3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride

C15H26ClN3O3S — CID 120501754

IUPAC3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C(C)C(C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-11-5-7-14(8-6-11)22(20,21)17-9-10-18(4)15(19)12(2)13(3)16;/h5-8,12-13,17H,9-10,16H2,1-4H3;1H
InChIKeyHWARFZIJFBWVBI-UHFFFAOYSA-N
MW363.91 g/mol
LogP1.14
Rot. Bonds7

About 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride

3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride (PubChem CID 120501754) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride
PubChem CID120501754
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC Name3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCN(C)C(=O)C(C)C(C)N)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-11-5-7-14(8-6-11)22(20,21)17-9-10-18(4)15(19)12(2)13(3)16;/h5-8,12-13,17H,9-10,16H2,1-4H3;1H
InChIKeyHWARFZIJFBWVBI-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N,4-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pentanamide;hydrochloride
CID 119807203
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-[2-[1,1-dicyanoprop-1-en-2-yl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 11067107
4-[[methyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]carbamoyl]amino]butanoic acid
CID 122023077
N-(2-aminoethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 42943458
3-(2-aminophenyl)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 120611436
2-(2-methoxyethylamino)-N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 119807198
4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride (CID 120501754) is 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(C)C(C)N)cc1.Cl.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
The InChIKey is HWARFZIJFBWVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-11-5-7-14(8-6-11)22(20,21)17-9-10-18(4)15(19)12(2)13(3)16;/h5-8,12-13,17H,9-10,16H2,1-4H3;1H.
What are the key properties of 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride?
3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120501754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).