N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

C16H16ClNO3S2 — CID 3839356

IUPACN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2
InChIKeyKBDXDHHDAAFOBW-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (PubChem CID 3839356) has the molecular formula C16H16ClNO3S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
PubChem CID3839356
Molecular FormulaC16H16ClNO3S2
Molecular Weight369.90 g/mol
Exact Mass369.03
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2
InChIKeyKBDXDHHDAAFOBW-UHFFFAOYSA-N
XLogP3.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide (CID 3839356) is N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is O=C(c1cccs1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
The InChIKey is KBDXDHHDAAFOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S2/c17-13-5-3-12(4-6-13)10-18(14-7-9-23(20,21)11-14)16(19)15-2-1-8-22-15/h1-6,8,14H,7,9-11H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3839356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).