N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide

C19H26N2O3S2 — CID 110415330

IUPACN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-16-9-11-18(12-10-16)26(23,24)21(2)14-13-20-19(22)8-4-3-6-17-7-5-15-25-17/h5,7,9-12,15H,3-4,6,8,13-14H2,1-2H3,(H,20,22)
InChIKeyDUZZOJISWVUUOU-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.21
Rot. Bonds10

About N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide

N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide (PubChem CID 110415330) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
PubChem CID110415330
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC NameN-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide
SMILESCc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C19H26N2O3S2/c1-16-9-11-18(12-10-16)26(23,24)21(2)14-13-20-19(22)8-4-3-6-17-7-5-15-25-17/h5,7,9-12,15H,3-4,6,8,13-14H2,1-2H3,(H,20,22)
InChIKeyDUZZOJISWVUUOU-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332
N,4-dimethyl-N-[2-oxo-2-[2-(4-thiophen-2-ylbutanoyl)hydrazinyl]ethyl]benzenesulfonamide
CID 9474767
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110609610
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
1-methyl-3-(4-methylphenyl)sulfonyl-1-(2-thiophen-2-ylethyl)urea
CID 110749043
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide (CID 110415330) is N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide is Cc1ccc(S(=O)(=O)N(C)CCNC(=O)CCCCc2cccs2)cc1.
What is the InChIKey of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide?
The InChIKey is DUZZOJISWVUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-16-9-11-18(12-10-16)26(23,24)21(2)14-13-20-19(22)8-4-3-6-17-7-5-15-25-17/h5,7,9-12,15H,3-4,6,8,13-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide?
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide has a molecular weight of 394.56 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110415330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).