N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

C17H29N3O4S — CID 119656064

IUPACN-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H29N3O4S/c1-5-24-14-6-8-15(9-7-14)25(22,23)19-11-10-16(21)20(4)13-17(2,3)12-18/h6-9,19H,5,10-13,18H2,1-4H3
InChIKeySXBNLEWKHBSMOV-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.20
Rot. Bonds10

About N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide

N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 119656064) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
PubChem CID119656064
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H29N3O4S/c1-5-24-14-6-8-15(9-7-14)25(22,23)19-11-10-16(21)20(4)13-17(2,3)12-18/h6-9,19H,5,10-13,18H2,1-4H3
InChIKeySXBNLEWKHBSMOV-UHFFFAOYSA-N
XLogP1.20
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide;hydrochloride
CID 119575166
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 31327075
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-4-ethoxybenzenesulfonamide
CID 113068111
N-(1-amino-2-methylpropan-2-yl)-4-ethoxybenzenesulfonamide;hydrochloride
CID 119975728

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide (CID 119656064) is N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is SXBNLEWKHBSMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-5-24-14-6-8-15(9-7-14)25(22,23)19-11-10-16(21)20(4)13-17(2,3)12-18/h6-9,19H,5,10-13,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide?
N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 371.50 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 119656064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).