2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide

C14H17ClN2O4S — CID 17471003

IUPAC2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17ClN2O4S/c15-12-4-2-1-3-11(12)14(19)16-7-5-13(18)17-10-6-8-22(20,21)9-10/h1-4,10H,5-9H2,(H,16,19)(H,17,18)
InChIKeyOYIFHNVWEIMMMP-UHFFFAOYSA-N
MW344.82 g/mol
LogP0.76
Rot. Bonds5

About 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide (PubChem CID 17471003) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
PubChem CID17471003
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H17ClN2O4S/c15-12-4-2-1-3-11(12)14(19)16-7-5-13(18)17-10-6-8-22(20,21)9-10/h1-4,10H,5-9H2,(H,16,19)(H,17,18)
InChIKeyOYIFHNVWEIMMMP-UHFFFAOYSA-N
XLogP0.76
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-[[N-(1,1-dioxothiolan-3-yl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111141285
N-[3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 51981184
3-(2,3-dichloroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026419
3-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 51726457
2-chloro-N-[3-(1,1-dioxothiolan-3-yl)propyl]benzamide
CID 110418920
1-benzyl-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]pyrazole-4-carboxamide
CID 47031666
N-[3-[[(3S)-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 51943910
2-(2-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 6601206
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
3-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109021800
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide (CID 17471003) is 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is OYIFHNVWEIMMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c15-12-4-2-1-3-11(12)14(19)16-7-5-13(18)17-10-6-8-22(20,21)9-10/h1-4,10H,5-9H2,(H,16,19)(H,17,18).
What are the key properties of 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 344.82 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 17471003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).