N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

C20H21N3O4S — CID 55948886

IUPACN-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-3-12-21-19(24)15-8-10-17(11-9-15)23-20(25)16-6-5-7-18(14-16)28(26,27)22-13-4-2/h2,5-11,14,22H,3,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyAMQHSIPRVACMNO-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.99
Rot. Bonds8

About N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55948886) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55948886
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-3-12-21-19(24)15-8-10-17(11-9-15)23-20(25)16-6-5-7-18(14-16)28(26,27)22-13-4-2/h2,5-11,14,22H,3,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyAMQHSIPRVACMNO-UHFFFAOYSA-N
XLogP1.99
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
3-(prop-2-ynylsulfamoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 46533294
N-(3-chloro-4-methylphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27005856
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
N-(3-acetylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 34833159
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[2-(3-fluorophenyl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27023537
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55767178

Frequently Asked Questions

What is the IUPAC name of N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55948886) is N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCC)cc2)c1.
What is the InChIKey of N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is AMQHSIPRVACMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-3-12-21-19(24)15-8-10-17(11-9-15)23-20(25)16-6-5-7-18(14-16)28(26,27)22-13-4-2/h2,5-11,14,22H,3,12-13H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propylcarbamoyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55948886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).