N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

C16H18ClN3O3S2 — CID 43072425

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)24-11-10-19-16(21)7-9-20-25(22,23)15-2-1-8-18-12-15/h1-6,8,12,20H,7,9-11H2,(H,19,21)
InChIKeyFZJRDYCZPJOKPK-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.31
Rot. Bonds9

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 43072425) has the molecular formula C16H18ClN3O3S2 and a molecular weight of 399.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID43072425
Molecular FormulaC16H18ClN3O3S2
Molecular Weight399.93 g/mol
Exact Mass399.05
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccnc1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)24-11-10-19-16(21)7-9-20-25(22,23)15-2-1-8-18-12-15/h1-6,8,12,20H,7,9-11H2,(H,19,21)
InChIKeyFZJRDYCZPJOKPK-UHFFFAOYSA-N
XLogP2.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 24549470
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39945799
6-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-sulfonamide
CID 28533546
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 33000051
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 43072425) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccnc1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is FZJRDYCZPJOKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S2/c17-13-3-5-14(6-4-13)24-11-10-19-16(21)7-9-20-25(22,23)15-2-1-8-18-12-15/h1-6,8,12,20H,7,9-11H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 399.93 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 43072425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).