4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide

C28H38N2O4S — CID 20637779

IUPAC4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide
SMILESCCCC1c2ccc(OC)cc2CC[C@H]1NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O4S/c1-3-7-26-25-16-15-23(34-2)18-22(25)14-17-27(26)30-28(31)21-12-10-20(11-13-21)19-29-35(32,33)24-8-5-4-6-9-24/h4-6,8-9,15-16,18,20-21,26-27,29H,3,7,10-14,17,19H2,1-2H3,(H,30,31)/t20?,21?,26?,27-/m1/s1
InChIKeyQCSTYWMBADPWCG-RXXXSIFWSA-N
MW498.69 g/mol
LogP4.79
Rot. Bonds9

About 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide

4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide (PubChem CID 20637779) has the molecular formula C28H38N2O4S and a molecular weight of 498.69 g/mol. Its IUPAC name is 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide
PubChem CID20637779
Molecular FormulaC28H38N2O4S
Molecular Weight498.69 g/mol
Exact Mass498.26
IUPAC Name4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide
SMILESCCCC1c2ccc(OC)cc2CC[C@H]1NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C28H38N2O4S/c1-3-7-26-25-16-15-23(34-2)18-22(25)14-17-27(26)30-28(31)21-12-10-20(11-13-21)19-29-35(32,33)24-8-5-4-6-9-24/h4-6,8-9,15-16,18,20-21,26-27,29H,3,7,10-14,17,19H2,1-2H3,(H,30,31)/t20?,21?,26?,27-/m1/s1
InChIKeyQCSTYWMBADPWCG-RXXXSIFWSA-N
XLogP4.79
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide (CID 20637779) is 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide is CCCC1c2ccc(OC)cc2CC[C@H]1NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide?
The InChIKey is QCSTYWMBADPWCG-RXXXSIFWSA-N. The full InChI is InChI=1S/C28H38N2O4S/c1-3-7-26-25-16-15-23(34-2)18-22(25)14-17-27(26)30-28(31)21-12-10-20(11-13-21)19-29-35(32,33)24-8-5-4-6-9-24/h4-6,8-9,15-16,18,20-21,26-27,29H,3,7,10-14,17,19H2,1-2H3,(H,30,31)/t20?,21?,26?,27-/m1/s1.
What are the key properties of 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide?
4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide has a molecular weight of 498.69 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamidomethyl)-N-[(2R)-6-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20637779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).