2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

C14H18ClN3O2S — CID 43250989

IUPAC2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESNc1cc(Cl)ccc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18ClN3O2S/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,18,19,20)
InChIKeyXNZAGSCSFMXWSD-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide

2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 43250989) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
PubChem CID43250989
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
SMILESNc1cc(Cl)ccc1SCC(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C14H18ClN3O2S/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,18,19,20)
InChIKeyXNZAGSCSFMXWSD-UHFFFAOYSA-N
XLogP2.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 43249110
3-(2-amino-4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 55098398
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(cyclohexylcarbamoyl)acetamide
CID 112779921
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
CID 5111057
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
CID 43250778
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
N-(cyclohexylcarbamoyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 7415704
2-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid
CID 43241360
2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 17413792

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide (CID 43250989) is 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is Nc1cc(Cl)ccc1SCC(=O)NC(=O)NC1CCCC1.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is XNZAGSCSFMXWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c15-9-5-6-12(11(16)7-9)21-8-13(19)18-14(20)17-10-3-1-2-4-10/h5-7,10H,1-4,8,16H2,(H2,17,18,19,20).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide?
2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 327.84 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 43250989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).