2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide

C20H21NO3S2 — CID 8816503

IUPAC2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H](c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C20H21NO3S2/c1-14-6-9-16(10-7-14)20(18-5-4-12-25-18)21-26(22,23)19-13-15(2)8-11-17(19)24-3/h4-13,20-21H,1-3H3/t20-/m0/s1
InChIKeyLDAPTUIYKVSUDF-FQEVSTJZSA-N
MW387.53 g/mol
LogP4.44
Rot. Bonds6

About 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (PubChem CID 8816503) has the molecular formula C20H21NO3S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
PubChem CID8816503
Molecular FormulaC20H21NO3S2
Molecular Weight387.53 g/mol
Exact Mass387.10
IUPAC Name2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H](c1ccc(C)cc1)c1cccs1
InChIInChI=1S/C20H21NO3S2/c1-14-6-9-16(10-7-14)20(18-5-4-12-25-18)21-26(22,23)19-13-15(2)8-11-17(19)24-3/h4-13,20-21H,1-3H3/t20-/m0/s1
InChIKeyLDAPTUIYKVSUDF-FQEVSTJZSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide
CID 26011077
3-chloro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 18279348
3,4-difluoro-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 17499037
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-(dithiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 12000205
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
2-methoxy-5-methyl-N-pentan-3-ylbenzenesulfonamide
CID 8777904
N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-4-nitrobenzenesulfonamide
CID 8816308
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
5-chloro-2-methoxy-N-[(3-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 133224794
2-methoxy-N-(1-methoxypropan-2-yl)-5-methylbenzenesulfonamide
CID 6461003
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide (CID 8816503) is 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N[C@@H](c1ccc(C)cc1)c1cccs1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
The InChIKey is LDAPTUIYKVSUDF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21NO3S2/c1-14-6-9-16(10-7-14)20(18-5-4-12-25-18)21-26(22,23)19-13-15(2)8-11-17(19)24-3/h4-13,20-21H,1-3H3/t20-/m0/s1.
What are the key properties of 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide is sourced from PubChem (CID 8816503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).