N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

C14H17NO4S2 — CID 87032979

IUPACN-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(C)s2)c1OC
InChIInChI=1S/C14H17NO4S2/c1-10-7-8-13(20-10)21(16,17)15-9-11-5-4-6-12(18-2)14(11)19-3/h4-8,15H,9H2,1-3H3
InChIKeyQEINMHPIARYYIP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide

N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (PubChem CID 87032979) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
PubChem CID87032979
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc(C)s2)c1OC
InChIInChI=1S/C14H17NO4S2/c1-10-7-8-13(20-10)21(16,17)15-9-11-5-4-6-12(18-2)14(11)19-3/h4-8,15H,9H2,1-3H3
InChIKeyQEINMHPIARYYIP-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113096502
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
N-[4-(2-methoxyphenoxy)but-2-ynyl]-5-methylthiophene-2-sulfonamide
CID 71802970
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110408836
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 54896671

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide (CID 87032979) is N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is COc1cccc(CNS(=O)(=O)c2ccc(C)s2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is QEINMHPIARYYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-10-7-8-13(20-10)21(16,17)15-9-11-5-4-6-12(18-2)14(11)19-3/h4-8,15H,9H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide?
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 87032979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).