5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide

C15H16ClN3O3S — CID 58418295

IUPAC5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCc1cc(NC(=O)NC(C)c2ccc(C(=O)NO)s2)ccc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-8-7-10(3-4-11(8)16)18-15(21)17-9(2)12-5-6-13(23-12)14(20)19-22/h3-7,9,22H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPHAWUZSCGLOIGB-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.71
Rot. Bonds4

About 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide

5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 58418295) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
PubChem CID58418295
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
SMILESCc1cc(NC(=O)NC(C)c2ccc(C(=O)NO)s2)ccc1Cl
InChIInChI=1S/C15H16ClN3O3S/c1-8-7-10(3-4-11(8)16)18-15(21)17-9(2)12-5-6-13(23-12)14(20)19-22/h3-7,9,22H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyPHAWUZSCGLOIGB-UHFFFAOYSA-N
XLogP3.71
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
CID 53374051
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877832
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 61471421
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17181717
1-[4-(1-aminoethyl)phenyl]-3-[1-(5-methylthiophen-2-yl)ethyl]urea
CID 61475916
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 76780138
(2S)-2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-hydroxy-4-methylpentanamide
CID 127038916
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 11494760

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide (CID 58418295) is 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide is Cc1cc(NC(=O)NC(C)c2ccc(C(=O)NO)s2)ccc1Cl.
What is the InChIKey of 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is PHAWUZSCGLOIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c1-8-7-10(3-4-11(8)16)18-15(21)17-9(2)12-5-6-13(23-12)14(20)19-22/h3-7,9,22H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide?
5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 353.83 g/mol, XLogP of 3.71, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 58418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).