N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide

C18H25NO4S2 — CID 9356126

IUPACN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCCCOc1ccc([C@H](C)NS(=O)(=O)c2cccs2)cc1OCCC
InChIInChI=1S/C18H25NO4S2/c1-4-10-22-16-9-8-15(13-17(16)23-11-5-2)14(3)19-25(20,21)18-7-6-12-24-18/h6-9,12-14,19H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyQBYJGGFUIQJNNU-AWEZNQCLSA-N
MW383.54 g/mol
LogP4.37
Rot. Bonds10

About N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide

N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 9356126) has the molecular formula C18H25NO4S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID9356126
Molecular FormulaC18H25NO4S2
Molecular Weight383.54 g/mol
Exact Mass383.12
IUPAC NameN-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCCCOc1ccc([C@H](C)NS(=O)(=O)c2cccs2)cc1OCCC
InChIInChI=1S/C18H25NO4S2/c1-4-10-22-16-9-8-15(13-17(16)23-11-5-2)14(3)19-25(20,21)18-7-6-12-24-18/h6-9,12-14,19H,4-5,10-11H2,1-3H3/t14-/m0/s1
InChIKeyQBYJGGFUIQJNNU-AWEZNQCLSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 28537936
[4-[(1R)-1-(thiophen-2-ylsulfonylamino)ethyl]phenyl] trifluoromethanesulfonate
CID 23633403
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55911805
3-methyl-N-(1-phenylethyl)-4-propoxybenzenesulfonamide
CID 45100411
3-(3,4-dimethoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 45468993

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 9356126) is N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide is CCCOc1ccc([C@H](C)NS(=O)(=O)c2cccs2)cc1OCCC.
What is the InChIKey of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is QBYJGGFUIQJNNU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25NO4S2/c1-4-10-22-16-9-8-15(13-17(16)23-11-5-2)14(3)19-25(20,21)18-7-6-12-24-18/h6-9,12-14,19H,4-5,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide?
N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 383.54 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 9356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).