N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide

C19H23ClN4OS — CID 15954842

IUPACN-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H23ClN4OS/c1-4-24(5-2)18-11-10-16(12-17(18)20)23-19(26)22-15-8-6-14(7-9-15)21-13(3)25/h6-12H,4-5H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyVRAIMOGNYDZQGZ-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.95
Rot. Bonds6

About N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide

N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide (PubChem CID 15954842) has the molecular formula C19H23ClN4OS and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide
PubChem CID15954842
Molecular FormulaC19H23ClN4OS
Molecular Weight390.94 g/mol
Exact Mass390.13
IUPAC NameN-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H23ClN4OS/c1-4-24(5-2)18-11-10-16(12-17(18)20)23-19(26)22-15-8-6-14(7-9-15)21-13(3)25/h6-12H,4-5H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyVRAIMOGNYDZQGZ-UHFFFAOYSA-N
XLogP4.95
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide (CID 15954842) is N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide is CCN(CC)c1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide?
The InChIKey is VRAIMOGNYDZQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4OS/c1-4-24(5-2)18-11-10-16(12-17(18)20)23-19(26)22-15-8-6-14(7-9-15)21-13(3)25/h6-12H,4-5H2,1-3H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide?
N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide has a molecular weight of 390.94 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-4-(diethylamino)phenyl]carbamothioylamino]phenyl]acetamide is sourced from PubChem (CID 15954842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).