4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C21H24N2O2S2 — CID 121084971

IUPAC4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccnc2)cc1
InChIInChI=1S/C21H24N2O2S2/c1-2-5-18-8-10-21(11-9-18)27(24,25)23(14-12-20-7-4-15-26-20)17-19-6-3-13-22-16-19/h3-4,6-11,13,15-16H,2,5,12,14,17H2,1H3
InChIKeyVYFXNUKVGHRMIP-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.53
Rot. Bonds9

About 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 121084971) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID121084971
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC Name4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccnc2)cc1
InChIInChI=1S/C21H24N2O2S2/c1-2-5-18-8-10-21(11-9-18)27(24,25)23(14-12-20-7-4-15-26-20)17-19-6-3-13-22-16-19/h3-4,6-11,13,15-16H,2,5,12,14,17H2,1H3
InChIKeyVYFXNUKVGHRMIP-UHFFFAOYSA-N
XLogP4.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
2-fluoro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084948
3-chloro-2-methyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121084985
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 121084962
2,5-dichloro-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085011
2-(4-methylphenyl)-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)ethenesulfonamide
CID 71960546
N-[2-(2-fluorophenyl)ethyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110427013
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
1-N-butan-2-yl-4-N-(2-phenylethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 25037546
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
N-(2-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
4-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79494682

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 121084971) is 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCCc1ccc(S(=O)(=O)N(CCc2cccs2)Cc2cccnc2)cc1.
What is the InChIKey of 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is VYFXNUKVGHRMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S2/c1-2-5-18-8-10-21(11-9-18)27(24,25)23(14-12-20-7-4-15-26-20)17-19-6-3-13-22-16-19/h3-4,6-11,13,15-16H,2,5,12,14,17H2,1H3.
What are the key properties of 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 400.57 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 121084971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).