3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide

C30H36ClN3O4S — CID 68929242

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
SMILESCC(C)CN(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C30H36ClN3O4S/c1-21(2)19-34(3)20-22-9-14-26-27(15-16-38-29(26)17-22)32-30(35)18-28(23-7-5-4-6-8-23)33-39(36,37)25-12-10-24(31)11-13-25/h4-14,17,21,27-28,33H,15-16,18-20H2,1-3H3,(H,32,35)
InChIKeyUMOUQPSYNJSVCO-UHFFFAOYSA-N
MW570.16 g/mol
LogP5.48
Rot. Bonds11

About 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide

3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide (PubChem CID 68929242) has the molecular formula C30H36ClN3O4S and a molecular weight of 570.16 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
PubChem CID68929242
Molecular FormulaC30H36ClN3O4S
Molecular Weight570.16 g/mol
Exact Mass569.21
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
SMILESCC(C)CN(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C30H36ClN3O4S/c1-21(2)19-34(3)20-22-9-14-26-27(15-16-38-29(26)17-22)32-30(35)18-28(23-7-5-4-6-8-23)33-39(36,37)25-12-10-24(31)11-13-25/h4-14,17,21,27-28,33H,15-16,18-20H2,1-3H3,(H,32,35)
InChIKeyUMOUQPSYNJSVCO-UHFFFAOYSA-N
XLogP5.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.16
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 68928466
3-[(4-tert-butylphenyl)sulfonylamino]-N-[7-[(3-methylbutylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 68934588
N-[7-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-(methanesulfonamido)-3-phenylpropanamide
CID 59792143
3-(3-chloro-5-methyl-N-thiophen-2-ylsulfonylanilino)-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide
CID 90917984
N-[7-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-(naphthalen-1-ylsulfonylamino)-3-phenylpropanamide
CID 68925782
N-[7-[(tert-butylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 68931029
3-[(3,4-dichlorophenyl)sulfonylamino]-3-(4-fluorophenyl)-N-[7-[(2-methoxyethylamino)methyl]-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 11433472
3-(3-fluorophenyl)-3-(naphthalen-2-ylsulfonylamino)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68927003
3-(naphthalen-2-ylsulfonylamino)-3-(3-phenoxyphenyl)-N-[7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 68928838
N-[5-(aminomethyl)-2,3-dihydro-1H-inden-1-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 68928983
N-[7-[[methyl(propan-2-yl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenyl-3-(sulfonylamino)propanamide;naphthalene
CID 87626987
2-[4-[(4-chlorophenyl)sulfonylamino]-3,4-dihydro-2H-chromen-7-yl]acetic acid
CID 19840494

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide (CID 68929242) is 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide is CC(C)CN(C)Cc1ccc2c(c1)OCCC2NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide?
The InChIKey is UMOUQPSYNJSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN3O4S/c1-21(2)19-34(3)20-22-9-14-26-27(15-16-38-29(26)17-22)32-30(35)18-28(23-7-5-4-6-8-23)33-39(36,37)25-12-10-24(31)11-13-25/h4-14,17,21,27-28,33H,15-16,18-20H2,1-3H3,(H,32,35).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide has a molecular weight of 570.16 g/mol, XLogP of 5.48, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-[7-[[methyl(2-methylpropyl)amino]methyl]-3,4-dihydro-2H-chromen-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 68929242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).