N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide

C17H19NO4S2 — CID 17457424

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C17H19NO4S2/c19-24(20,17-6-3-9-23-17)18(14-4-1-2-5-14)11-13-7-8-15-16(10-13)22-12-21-15/h3,6-10,14H,1-2,4-5,11-12H2
InChIKeyXQIHAYYFTAXEEW-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.61
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide (PubChem CID 17457424) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
PubChem CID17457424
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C17H19NO4S2/c19-24(20,17-6-3-9-23-17)18(14-4-1-2-5-14)11-13-7-8-15-16(10-13)22-12-21-15/h3,6-10,14H,1-2,4-5,11-12H2
InChIKeyXQIHAYYFTAXEEW-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,4,6-trimethylbenzenesulfonamide
CID 42723781
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23743670
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772775
[4-[3-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23914869
N-cyclopentyl-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 86266502
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-[(4-bromophenyl)methyl]-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 11597429
methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 43577528
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylsulfonylpropanamide
CID 22422237
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl]oxamide
CID 27555302

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide (CID 17457424) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(Cc1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide?
The InChIKey is XQIHAYYFTAXEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c19-24(20,17-6-3-9-23-17)18(14-4-1-2-5-14)11-13-7-8-15-16(10-13)22-12-21-15/h3,6-10,14H,1-2,4-5,11-12H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylthiophene-2-sulfonamide is sourced from PubChem (CID 17457424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).