N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

C14H22N2O3S2 — CID 4882836

IUPACN-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3S2/c1-4-15-14(17)13(9-10-20-3)16-21(18,19)12-7-5-11(2)6-8-12/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyQCPSHIPURKJDCI-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.53
Rot. Bonds8

About N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide

N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (PubChem CID 4882836) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
PubChem CID4882836
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
SMILESCCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O3S2/c1-4-15-14(17)13(9-10-20-3)16-21(18,19)12-7-5-11(2)6-8-12/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyQCPSHIPURKJDCI-UHFFFAOYSA-N
XLogP1.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
2-Amino-N-[2-(4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 10848746
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
CID 23643986
tert-butyl N-[(2R)-4-methylsulfanyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]butan-2-yl]carbamate
CID 36254880
(S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hydroxy-4-methylsulfanyl-butyramide
CID 44291532
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684
N-allyl-1-[(4-methylphenyl)sulfonyl]-5-oxoprolinamide
CID 2956482
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The IUPAC name of N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide (CID 4882836) is N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide.
What is the SMILES notation for N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The canonical SMILES for N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is CCNC(=O)C(CCSC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
The InChIKey is QCPSHIPURKJDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-4-15-14(17)13(9-10-20-3)16-21(18,19)12-7-5-11(2)6-8-12/h5-8,13,16H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide?
N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide has a molecular weight of 330.48 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide is sourced from PubChem (CID 4882836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).