2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide

C11H19N3O3S2 — CID 61299810

IUPAC2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,3)13-9(15)6-14(4)19(16,17)10-5-8(12)7-18-10/h5,7H,6,12H2,1-4H3,(H,13,15)
InChIKeyURGRUQZATDDBHQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.87
Rot. Bonds4

About 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide

2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide (PubChem CID 61299810) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
PubChem CID61299810
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,3)13-9(15)6-14(4)19(16,17)10-5-8(12)7-18-10/h5,7H,6,12H2,1-4H3,(H,13,15)
InChIKeyURGRUQZATDDBHQ-UHFFFAOYSA-N
XLogP0.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-methylacetamide
CID 61301123
2-[(3-amino-5-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125979
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-[(5-amino-2-bromophenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 65207012
2-[(3-amino-4-methylphenyl)sulfonyl-methylamino]-N-tert-butylacetamide
CID 61125788
4-amino-N-methyl-N-(2-methylsulfonylethyl)thiophene-2-sulfonamide
CID 79850156
4-amino-N-methyl-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 61300540
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51307237
N-tert-butyl-2-[methyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 78766636
4-amino-N-(2-ethoxyethyl)-N-methylthiophene-2-sulfonamide
CID 81053665
4-amino-N-[(4-ethylphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61299784
N-tert-butyl-2-[methyl-[(6-oxo-1H-pyridin-3-yl)sulfonyl]amino]acetamide
CID 60960044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide (CID 61299810) is 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide?
The InChIKey is URGRUQZATDDBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-11(2,3)13-9(15)6-14(4)19(16,17)10-5-8(12)7-18-10/h5,7H,6,12H2,1-4H3,(H,13,15).
What are the key properties of 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide?
2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide has a molecular weight of 305.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminothiophen-2-yl)sulfonyl-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 61299810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).