N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

C19H26N2O3S2 — CID 113059149

IUPACN-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N2O3S2/c1-14-6-11-18(25-14)26(23,24)20-12-13-21(15(2)22)17-9-7-16(8-10-17)19(3,4)5/h6-11,20H,12-13H2,1-5H3
InChIKeyKGICPVWKENPKJL-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.69
Rot. Bonds6

About N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide

N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (PubChem CID 113059149) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
PubChem CID113059149
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N2O3S2/c1-14-6-11-18(25-14)26(23,24)20-12-13-21(15(2)22)17-9-7-16(8-10-17)19(3,4)5/h6-11,20H,12-13H2,1-5H3
InChIKeyKGICPVWKENPKJL-UHFFFAOYSA-N
XLogP3.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113062233
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-(4-ethylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058478
2,2-dimethyl-3-[(5-methylthiophen-2-yl)sulfonylamino]propanoic acid
CID 115427424
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-fluorophenyl)acetamide
CID 113062699
N-(4-cyanophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064398
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113064816
N-(4-ethylphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058462
N-(4-acetylphenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113061694

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide (CID 113059149) is N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)s1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
The InChIKey is KGICPVWKENPKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-14-6-11-18(25-14)26(23,24)20-12-13-21(15(2)22)17-9-7-16(8-10-17)19(3,4)5/h6-11,20H,12-13H2,1-5H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide?
N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113059149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).