2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

C14H17ClN2O4S — CID 113171522

IUPAC2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-10(18)17(13-4-2-11(15)3-5-13)8-14(19)16-12-6-7-22(20,21)9-12/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyLRSAXDNIRJOUHC-UHFFFAOYSA-N
MW344.82 g/mol
LogP1.00
Rot. Bonds4

About 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 113171522) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID113171522
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O4S/c1-10(18)17(13-4-2-11(15)3-5-13)8-14(19)16-12-6-7-22(20,21)9-12/h2-5,12H,6-9H2,1H3,(H,16,19)
InChIKeyLRSAXDNIRJOUHC-UHFFFAOYSA-N
XLogP1.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113175285
2-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171709
3-(N-acetyl-4-tert-butylanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126548
2-[(4-chlorophenyl)carbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961751
3-(N-acetyl-4-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113135059
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18274802
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113135238
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51171626
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113174068
3-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109021800
3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 113171522) is 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is CC(=O)N(CC(=O)NC1CCS(=O)(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is LRSAXDNIRJOUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-10(18)17(13-4-2-11(15)3-5-13)8-14(19)16-12-6-7-22(20,21)9-12/h2-5,12H,6-9H2,1H3,(H,16,19).
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 344.82 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 113171522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).