N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide

C20H20N4O3S — CID 2147410

IUPACN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-15-13-14-21-20(22-15)24-28(26,27)18-10-8-17(9-11-18)23-19(25)12-7-16-5-3-2-4-6-16/h2-6,8-11,13-14H,7,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZCAQQGVZDRQLKO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.16
Rot. Bonds7

About N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide (PubChem CID 2147410) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
PubChem CID2147410
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3S/c1-15-13-14-21-20(22-15)24-28(26,27)18-10-8-17(9-11-18)23-19(25)12-7-16-5-3-2-4-6-16/h2-6,8-11,13-14H,7,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyZCAQQGVZDRQLKO-UHFFFAOYSA-N
XLogP3.16
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide (CID 2147410) is N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
The InChIKey is ZCAQQGVZDRQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-15-13-14-21-20(22-15)24-28(26,27)18-10-8-17(9-11-18)23-19(25)12-7-16-5-3-2-4-6-16/h2-6,8-11,13-14H,7,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide?
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide has a molecular weight of 396.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 2147410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).