4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide

C20H23NO4S3 — CID 99882730

IUPAC4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1C
InChIInChI=1S/C20H23NO4S3/c1-4-25-20-13(2)9-17(10-14(20)3)28(23,24)21-11-16-5-6-18(27-16)19(22)15-7-8-26-12-15/h5-10,12,19,21-22H,4,11H2,1-3H3/t19-/m0/s1
InChIKeyDNBVFERJDQEHQQ-IBGZPJMESA-N
MW437.61 g/mol
LogP4.39
Rot. Bonds8

About 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide

4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide (PubChem CID 99882730) has the molecular formula C20H23NO4S3 and a molecular weight of 437.61 g/mol. Its IUPAC name is 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
PubChem CID99882730
Molecular FormulaC20H23NO4S3
Molecular Weight437.61 g/mol
Exact Mass437.08
IUPAC Name4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide
SMILESCCOc1c(C)cc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1C
InChIInChI=1S/C20H23NO4S3/c1-4-25-20-13(2)9-17(10-14(20)3)28(23,24)21-11-16-5-6-18(27-16)19(22)15-7-8-26-12-15/h5-10,12,19,21-22H,4,11H2,1-3H3/t19-/m0/s1
InChIKeyDNBVFERJDQEHQQ-IBGZPJMESA-N
XLogP4.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 121133913
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
2,5-difluoro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133885
5-chloro-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]thiophene-2-sulfonamide
CID 121133888
4-methoxy-3,5-dimethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 72717604
1-(3-chlorophenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]methanesulfonamide
CID 121133907
(E)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2-phenylethenesulfonamide
CID 121133865
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-propoxybenzenesulfonamide
CID 121134278
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 121133783
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methoxybenzenesulfonamide
CID 73167915
N'-(3,5-dimethylphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]oxamide
CID 121133966
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide (CID 99882730) is 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide is CCOc1c(C)cc(S(=O)(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)cc1C.
What is the InChIKey of 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide?
The InChIKey is DNBVFERJDQEHQQ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4S3/c1-4-25-20-13(2)9-17(10-14(20)3)28(23,24)21-11-16-5-6-18(27-16)19(22)15-7-8-26-12-15/h5-10,12,19,21-22H,4,11H2,1-3H3/t19-/m0/s1.
What are the key properties of 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide?
4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide has a molecular weight of 437.61 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[5-[(S)-hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 99882730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).