N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide

C15H18N2O3S2 — CID 167806334

IUPACN-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-12(18)16-10-13-5-7-15(8-6-13)22(19,20)17(2)11-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,16,18)
InChIKeyMTCQQJFIUVUTRE-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.20
Rot. Bonds6

About N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 167806334) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID167806334
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2O3S2/c1-12(18)16-10-13-5-7-15(8-6-13)22(19,20)17(2)11-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,16,18)
InChIKeyMTCQQJFIUVUTRE-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(2-thiophen-2-ylethyl)urea
CID 41249871
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
N-[5-[methyl(thiophen-2-ylmethyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110733668
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682
N-[4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 30171646
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
N-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110733669
N-[3-[[4-(acetamidomethyl)phenyl]sulfonyl-methylamino]propyl]prop-2-enamide
CID 89237601

Frequently Asked Questions

What is the IUPAC name of N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide (CID 167806334) is N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1.
What is the InChIKey of N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is MTCQQJFIUVUTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-12(18)16-10-13-5-7-15(8-6-13)22(19,20)17(2)11-14-4-3-9-21-14/h3-9H,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 167806334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).