N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide

C19H26N2O4S — CID 51321300

IUPACN-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-2-3-10-21(17-9-11-26(24,25)13-17)19(23)15-5-4-6-16(12-15)20-18(22)14-7-8-14/h4-6,12,14,17H,2-3,7-11,13H2,1H3,(H,20,22)
InChIKeyLVKCNOKYWLQISE-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.46
Rot. Bonds7

About N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide

N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 51321300) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound NameN-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID51321300
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCCCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H26N2O4S/c1-2-3-10-21(17-9-11-26(24,25)13-17)19(23)15-5-4-6-16(12-15)20-18(22)14-7-8-14/h4-6,12,14,17H,2-3,7-11,13H2,1H3,(H,20,22)
InChIKeyLVKCNOKYWLQISE-UHFFFAOYSA-N
XLogP2.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55520088
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837
1-butyl-3-(3,4-dichlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 97098518
1-butyl-3-(3,4-dichlorophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 97098519

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 51321300) is N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide is CCCCN(C(=O)c1cccc(NC(=O)C2CC2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is LVKCNOKYWLQISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-2-3-10-21(17-9-11-26(24,25)13-17)19(23)15-5-4-6-16(12-15)20-18(22)14-7-8-14/h4-6,12,14,17H,2-3,7-11,13H2,1H3,(H,20,22).
What are the key properties of N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide?
N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 378.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(cyclopropanecarbonylamino)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 51321300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).