N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

C27H36N2O4S — CID 43891180

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C27H36N2O4S/c1-20(2)23-14-15-25(33-3)26(19-23)34(31,32)29-24(18-22-12-8-5-9-13-22)27(30)28-17-16-21-10-6-4-7-11-21/h5,8-10,12-15,19-20,24,29H,4,6-7,11,16-18H2,1-3H3,(H,28,30)
InChIKeyNAFJOFSFAGTMCN-UHFFFAOYSA-N
MW484.66 g/mol
LogP4.71
Rot. Bonds11

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891180) has the molecular formula C27H36N2O4S and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891180
Molecular FormulaC27H36N2O4S
Molecular Weight484.66 g/mol
Exact Mass484.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C27H36N2O4S/c1-20(2)23-14-15-25(33-3)26(19-23)34(31,32)29-24(18-22-12-8-5-9-13-22)27(30)28-17-16-21-10-6-4-7-11-21/h5,8-10,12-15,19-20,24,29H,4,6-7,11,16-18H2,1-3H3,(H,28,30)
InChIKeyNAFJOFSFAGTMCN-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.66
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871324
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylpropanamide
CID 43870887
N-tert-butyl-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891174
N-(furan-2-ylmethyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891194
N-(2-ethylphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891209
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891216
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 28539637
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 28539747
N-butyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871027
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 40975736
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-yloxypropyl)propanamide
CID 43871126
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891180) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(C(C)C)cc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is NAFJOFSFAGTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4S/c1-20(2)23-14-15-25(33-3)26(19-23)34(31,32)29-24(18-22-12-8-5-9-13-22)27(30)28-17-16-21-10-6-4-7-11-21/h5,8-10,12-15,19-20,24,29H,4,6-7,11,16-18H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 484.66 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).