N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

C20H28N2O2S2 — CID 70938861

IUPACN-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C20H28N2O2S2/c1-15(2)26(23,24)22-19-9-5-16(6-10-19)14-21-18-11-7-17(8-12-18)20-4-3-13-25-20/h3-4,7-8,11-13,15-16,19,21-22H,5-6,9-10,14H2,1-2H3
InChIKeyDPOVOWDGYFHSPV-UHFFFAOYSA-N
MW392.59 g/mol
LogP4.71
Rot. Bonds7

About N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 70938861) has the molecular formula C20H28N2O2S2 and a molecular weight of 392.59 g/mol. Its IUPAC name is N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID70938861
Molecular FormulaC20H28N2O2S2
Molecular Weight392.59 g/mol
Exact Mass392.16
IUPAC NameN-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C20H28N2O2S2/c1-15(2)26(23,24)22-19-9-5-16(6-10-19)14-21-18-11-7-17(8-12-18)20-4-3-13-25-20/h3-4,7-8,11-13,15-16,19,21-22H,5-6,9-10,14H2,1-2H3
InChIKeyDPOVOWDGYFHSPV-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide (CID 70938861) is N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is DPOVOWDGYFHSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S2/c1-15(2)26(23,24)22-19-9-5-16(6-10-19)14-21-18-11-7-17(8-12-18)20-4-3-13-25-20/h3-4,7-8,11-13,15-16,19,21-22H,5-6,9-10,14H2,1-2H3.
What are the key properties of N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 392.59 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-thiophen-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 70938861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).