4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide

C14H18N2O3S2 — CID 81441299

IUPAC4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cc(C)c(C)s2)ccc1N
InChIInChI=1S/C14H18N2O3S2/c1-9-6-11(20-10(9)2)8-16-21(17,18)12-4-5-13(15)14(7-12)19-3/h4-7,16H,8,15H2,1-3H3
InChIKeyYRZNZNUWTJLNAX-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.43
Rot. Bonds5

About 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide

4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide (PubChem CID 81441299) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
PubChem CID81441299
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cc(C)c(C)s2)ccc1N
InChIInChI=1S/C14H18N2O3S2/c1-9-6-11(20-10(9)2)8-16-21(17,18)12-4-5-13(15)14(7-12)19-3/h4-7,16H,8,15H2,1-3H3
InChIKeyYRZNZNUWTJLNAX-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 65245602
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106612374
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 107091539
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65244040
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106035151
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
3-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280992

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide (CID 81441299) is 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCc2cc(C)c(C)s2)ccc1N.
What is the InChIKey of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide?
The InChIKey is YRZNZNUWTJLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9-6-11(20-10(9)2)8-16-21(17,18)12-4-5-13(15)14(7-12)19-3/h4-7,16H,8,15H2,1-3H3.
What are the key properties of 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide?
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81441299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).