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

C17H23N3O4S — CID 39335172

IUPACN-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(18-13-5-1-2-6-13)12-4-3-7-14(10-12)19-17(22)20-15-8-9-25(23,24)11-15/h3-4,7,10,13,15H,1-2,5-6,8-9,11H2,(H,18,21)(H2,19,20,22)/t15-/m0/s1
InChIKeyCNGOBOXXWSJUNG-HNNXBMFYSA-N
MW365.46 g/mol
LogP1.67
Rot. Bonds4

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

N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide (PubChem CID 39335172) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
PubChem CID39335172
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)NC2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H23N3O4S/c21-16(18-13-5-1-2-6-13)12-4-3-7-14(10-12)19-17(22)20-15-8-9-25(23,24)11-15/h3-4,7,10,13,15H,1-2,5-6,8-9,11H2,(H,18,21)(H2,19,20,22)/t15-/m0/s1
InChIKeyCNGOBOXXWSJUNG-HNNXBMFYSA-N
XLogP1.67
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzamide
CID 42653331
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-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide (CID 39335172) is N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide is O=C(Nc1cccc(C(=O)NC2CCCC2)c1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide?
The InChIKey is CNGOBOXXWSJUNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16(18-13-5-1-2-6-13)12-4-3-7-14(10-12)19-17(22)20-15-8-9-25(23,24)11-15/h3-4,7,10,13,15H,1-2,5-6,8-9,11H2,(H,18,21)(H2,19,20,22)/t15-/m0/s1.
What are the key properties of N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide?
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide has a molecular weight of 365.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 39335172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).