N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide

C14H23N3O3S — CID 115357166

IUPACN-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
SMILESCCNc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-5-15-11-6-8-12(9-7-11)21(19,20)16-10-13(18)17-14(2,3)4/h6-9,15-16H,5,10H2,1-4H3,(H,17,18)
InChIKeyOARSZXITTYJRLE-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.31
Rot. Bonds6

About N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide

N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide (PubChem CID 115357166) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
PubChem CID115357166
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide
SMILESCCNc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H23N3O3S/c1-5-15-11-6-8-12(9-7-11)21(19,20)16-10-13(18)17-14(2,3)4/h6-9,15-16H,5,10H2,1-4H3,(H,17,18)
InChIKeyOARSZXITTYJRLE-UHFFFAOYSA-N
XLogP1.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfonylamino]-N-tert-butylacetamide
CID 115355870
N-tert-butyl-2-(4-propylsulfonylanilino)acetamide
CID 115356865
N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
CID 115357155
N-tert-butyl-2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]acetamide
CID 115356564
2-[(4-bromo-3-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 103697245
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
N-tert-butyl-2-[(2-hydrazinyl-4-pyridinyl)sulfonylamino]acetamide
CID 115356562

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide (CID 115357166) is N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide is CCNc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide?
The InChIKey is OARSZXITTYJRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-5-15-11-6-8-12(9-7-11)21(19,20)16-10-13(18)17-14(2,3)4/h6-9,15-16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide?
N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[4-(ethylamino)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 115357166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).