N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

C21H29N3O3S2 — CID 122488397

IUPACN-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C21H29N3O3S2/c25-29(26,23-17-6-3-1-2-4-7-17)21-11-10-20(28-21)27-19-9-5-8-18(16-19)24-14-12-22-13-15-24/h5,8-11,16-17,22-23H,1-4,6-7,12-15H2
InChIKeyPSHZEIWLXLSISU-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.95
Rot. Bonds6

About N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (PubChem CID 122488397) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
PubChem CID122488397
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC NameN-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESO=S(=O)(NC1CCCCCC1)c1ccc(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C21H29N3O3S2/c25-29(26,23-17-6-3-1-2-4-7-17)21-11-10-20(28-21)27-19-9-5-8-18(16-19)24-14-12-22-13-15-24/h5,8-11,16-17,22-23H,1-4,6-7,12-15H2
InChIKeyPSHZEIWLXLSISU-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)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

Al7089a
CID 3013848
Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide]
CID 4369171
AL7099A
CID 4369101
US9617239, Brite-355123
CID 122488403
2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 28
CID 23645562
4-Chloro-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide
CID 53255350
US9617239, Brite-492809
CID 53307986
US9617239, Brite-492797
CID 53307987
US9617239, Brite-492803
CID 53307989
US9617239, Brite-492805
CID 53307990
US9617239, Brite-492802
CID 53308144
US9617239, Brite-492808
CID 53385820

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The IUPAC name of N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (CID 122488397) is N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.
What is the SMILES notation for N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The canonical SMILES for N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is O=S(=O)(NC1CCCCCC1)c1ccc(Oc2cccc(N3CCNCC3)c2)s1.
What is the InChIKey of N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The InChIKey is PSHZEIWLXLSISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c25-29(26,23-17-6-3-1-2-4-7-17)21-11-10-20(28-21)27-19-9-5-8-18(16-19)24-14-12-22-13-15-24/h5,8-11,16-17,22-23H,1-4,6-7,12-15H2.
What are the key properties of N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide has a molecular weight of 435.62 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 122488397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).