N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide

C21H27NO4S — CID 139066918

IUPACN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESC/C=C/c1c(CNS(=O)(=O)Cc2ccccc2)ccc(OC)c1OC(C)C
InChIInChI=1S/C21H27NO4S/c1-5-9-19-18(12-13-20(25-4)21(19)26-16(2)3)14-22-27(23,24)15-17-10-7-6-8-11-17/h5-13,16,22H,14-15H2,1-4H3/b9-5+
InChIKeyJASQIYWUSJZMCP-WEVVVXLNSA-N
MW389.52 g/mol
LogP4.14
Rot. Bonds9

About N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide

N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 139066918) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
PubChem CID139066918
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide
SMILESC/C=C/c1c(CNS(=O)(=O)Cc2ccccc2)ccc(OC)c1OC(C)C
InChIInChI=1S/C21H27NO4S/c1-5-9-19-18(12-13-20(25-4)21(19)26-16(2)3)14-22-27(23,24)15-17-10-7-6-8-11-17/h5-13,16,22H,14-15H2,1-4H3/b9-5+
InChIKeyJASQIYWUSJZMCP-WEVVVXLNSA-N
XLogP4.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 31827805
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110789718
N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-N-prop-2-enylacetamide
CID 23730675
N-[(2-but-3-en-2-yl-4-methoxy-3-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 11393628
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
N-[(6-bromo-3-methoxy-2-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66537469
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-1-phenylmethanesulfonamide
CID 110314905
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-methylphenyl)methanesulfonamide
CID 110780305
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787472
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide (CID 139066918) is N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide is C/C=C/c1c(CNS(=O)(=O)Cc2ccccc2)ccc(OC)c1OC(C)C.
What is the InChIKey of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is JASQIYWUSJZMCP-WEVVVXLNSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-5-9-19-18(12-13-20(25-4)21(19)26-16(2)3)14-22-27(23,24)15-17-10-7-6-8-11-17/h5-13,16,22H,14-15H2,1-4H3/b9-5+.
What are the key properties of N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide?
N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-propan-2-yloxy-2-[(E)-prop-1-enyl]phenyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 139066918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).