N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide

C19H27N3O4S — CID 42653331

IUPACN-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O4S/c23-18(20-15-7-3-1-2-4-8-15)14-6-5-9-16(12-14)21-19(24)22-17-10-11-27(25,26)13-17/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,23)(H2,21,22,24)
InChIKeyFOSOHKZGTYTUGL-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.45
Rot. Bonds4

About N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide

N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide (PubChem CID 42653331) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
PubChem CID42653331
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H27N3O4S/c23-18(20-15-7-3-1-2-4-8-15)14-6-5-9-16(12-14)21-19(24)22-17-10-11-27(25,26)13-17/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,23)(H2,21,22,24)
InChIKeyFOSOHKZGTYTUGL-UHFFFAOYSA-N
XLogP2.45
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39335172
3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 39311712
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-(2-phenylethyl)benzamide
CID 39337107
N-(3-acetylphenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42655672
3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39352092
N-(3-chloro-4-fluorophenyl)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39354742
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42655880
N-(3-acetamidophenyl)-4-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42654442
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
N-(1H-benzimidazol-2-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
CID 39348286
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide?
The IUPAC name of N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide (CID 42653331) is N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide.
What is the SMILES notation for N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide?
The canonical SMILES for N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide is O=C(Nc1cccc(C(=O)NC2CCCCCC2)c1)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide?
The InChIKey is FOSOHKZGTYTUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c23-18(20-15-7-3-1-2-4-8-15)14-6-5-9-16(12-14)21-19(24)22-17-10-11-27(25,26)13-17/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,23)(H2,21,22,24).
What are the key properties of N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide?
N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide has a molecular weight of 393.51 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide is sourced from PubChem (CID 42653331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).