2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C17H23N3O3S2 — CID 87013804

IUPAC2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H23N3O3S2/c1-12-8-9-24-16(12)10-19-17(21)11-20(3)13(2)14-4-6-15(7-5-14)25(18,22)23/h4-9,13H,10-11H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyNLDHXTJHEYZKCH-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.01
Rot. Bonds7

About 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 87013804) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID87013804
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H23N3O3S2/c1-12-8-9-24-16(12)10-19-17(21)11-20(3)13(2)14-4-6-15(7-5-14)25(18,22)23/h4-9,13H,10-11H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyNLDHXTJHEYZKCH-UHFFFAOYSA-N
XLogP2.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-(2-thiophen-2-ylethyl)acetamide
CID 47010656
N,3-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiophene-2-carboxamide
CID 34734892
2-[3-hydroxybutyl(methyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111496842
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46808314
N-(2,3-dimethyl-6-nitrophenyl)-2-[methyl-[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 33068523
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
N-[(3-ethylthiophen-2-yl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71972313
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 78817666
N-(3-iodophenyl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 46809997
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 47011067
5-amino-N-[(3-methylthiophen-2-yl)methyl]hexanamide
CID 82851695
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 87013804) is 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN(C)C(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is NLDHXTJHEYZKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-12-8-9-24-16(12)10-19-17(21)11-20(3)13(2)14-4-6-15(7-5-14)25(18,22)23/h4-9,13H,10-11H2,1-3H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 87013804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).