N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide

C18H25N3O3S2 — CID 119653300

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-18(2,12-19)13-21(3)17(22)14-6-8-16(9-7-14)26(23,24)20-11-15-5-4-10-25-15/h4-10,20H,11-13,19H2,1-3H3
InChIKeyLNAVZWMOKNRXRY-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.28
Rot. Bonds8

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 119653300) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID119653300
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H25N3O3S2/c1-18(2,12-19)13-21(3)17(22)14-6-8-16(9-7-14)26(23,24)20-11-15-5-4-10-25-15/h4-10,20H,11-13,19H2,1-3H3
InChIKeyLNAVZWMOKNRXRY-UHFFFAOYSA-N
XLogP2.28
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56510606
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethylsulfamoyl)-N-methylbenzamide;hydrochloride
CID 119654430
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(pyridin-4-ylsulfamoyl)benzamide;dihydrochloride
CID 119656862
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-(3-amino-2,2-dimethylpropyl)-4-[(2-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 119656595
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-2-ylacetamide
CID 79653255
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
CID 119655900
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 119653300) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide is CN(CC(C)(C)CN)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is LNAVZWMOKNRXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-18(2,12-19)13-21(3)17(22)14-6-8-16(9-7-14)26(23,24)20-11-15-5-4-10-25-15/h4-10,20H,11-13,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 395.55 g/mol, XLogP of 2.28, 8 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)-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 119653300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).