N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

C31H32N4O3S — CID 20701112

IUPACN-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESCC(Cc1ccc(C2=NCCN2)cc1)NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C31H32N4O3S/c1-22(19-23-11-13-26(14-12-23)31-32-17-18-33-31)34-30(36)21-29(25-8-3-2-4-9-25)35-39(37,38)28-16-15-24-7-5-6-10-27(24)20-28/h2-16,20,22,29,35H,17-19,21H2,1H3,(H,32,33)(H,34,36)
InChIKeyOPIFORWQTXMRFI-UHFFFAOYSA-N
MW540.69 g/mol
LogP4.35
Rot. Bonds10

About N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide

N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 20701112) has the molecular formula C31H32N4O3S and a molecular weight of 540.69 g/mol. Its IUPAC name is N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
PubChem CID20701112
Molecular FormulaC31H32N4O3S
Molecular Weight540.69 g/mol
Exact Mass540.22
IUPAC NameN-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
SMILESCC(Cc1ccc(C2=NCCN2)cc1)NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C31H32N4O3S/c1-22(19-23-11-13-26(14-12-23)31-32-17-18-33-31)34-30(36)21-29(25-8-3-2-4-9-25)35-39(37,38)28-16-15-24-7-5-6-10-27(24)20-28/h2-16,20,22,29,35H,17-19,21H2,1H3,(H,32,33)(H,34,36)
InChIKeyOPIFORWQTXMRFI-UHFFFAOYSA-N
XLogP4.35
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.69
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[ethyl(methyl)amino]methyl]phenyl]-2-[[3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]amino]propanoic acid
CID 21070302
N-[3-[4-[[ethyl(methyl)amino]methyl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 21070335
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-4-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 58638734
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3-[[3-[2-[3-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 67562712
N-[3-[4-(diethylaminomethyl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-2-ylsulfonylamino)propanamide;hydrochloride
CID 69332756
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
N-[5-(aminomethyl)-2,3-dihydro-1H-inden-1-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68928983
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 2431733
N-[7-[(dimethylamino)methyl]-1-methyl-2,2-dioxo-3,4-dihydro-2λ6,1-benzothiazin-4-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68929010
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide (CID 20701112) is N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is CC(Cc1ccc(C2=NCCN2)cc1)NC(=O)CC(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is OPIFORWQTXMRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3S/c1-22(19-23-11-13-26(14-12-23)31-32-17-18-33-31)34-30(36)21-29(25-8-3-2-4-9-25)35-39(37,38)28-16-15-24-7-5-6-10-27(24)20-28/h2-16,20,22,29,35H,17-19,21H2,1H3,(H,32,33)(H,34,36).
What are the key properties of N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide?
N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 540.69 g/mol, XLogP of 4.35, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 20701112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).