N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

C15H18N2O3S2 — CID 119626257

IUPACN-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-15(2,16)10-17-14(18)12-8-9-13(21-12)22(19,20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyGLMMXAWPGUDTNW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.05
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide

N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (PubChem CID 119626257) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
PubChem CID119626257
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
SMILESCC(C)(N)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-15(2,16)10-17-14(18)12-8-9-13(21-12)22(19,20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyGLMMXAWPGUDTNW-UHFFFAOYSA-N
XLogP2.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide (CID 119626257) is N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is CC(C)(N)CNC(=O)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
The InChIKey is GLMMXAWPGUDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-15(2,16)10-17-14(18)12-8-9-13(21-12)22(19,20)11-6-4-3-5-7-11/h3-9H,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide?
N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-(benzenesulfonyl)thiophene-2-carboxamide is sourced from PubChem (CID 119626257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).