N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide

C22H29N3O5S — CID 24616235

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-17-8-5-6-9-20(17)24-22(27)16-23-21(26)10-7-15-25(2)31(28,29)19-13-11-18(30-3)12-14-19/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyFSNYASYFPOLFKF-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.41
Rot. Bonds11

About N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide

N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide (PubChem CID 24616235) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
PubChem CID24616235
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-17-8-5-6-9-20(17)24-22(27)16-23-21(26)10-7-15-25(2)31(28,29)19-13-11-18(30-3)12-14-19/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyFSNYASYFPOLFKF-UHFFFAOYSA-N
XLogP2.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
methyl 4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoate
CID 60712386
N-(2-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1260792
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 40624086
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide
CID 24619743
N-(2-but-3-enylphenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 100731859
4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 18593163
3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 24617336
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 24681406
methyl 2-[[2-[(2-acetamidoacetyl)amino]phenyl]methyl-(4-methoxyphenyl)sulfonylamino]prop-2-enoate
CID 18612963
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1233822
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 51115692

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide (CID 24616235) is N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide is CCc1ccccc1NC(=O)CNC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide?
The InChIKey is FSNYASYFPOLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-4-17-8-5-6-9-20(17)24-22(27)16-23-21(26)10-7-15-25(2)31(28,29)19-13-11-18(30-3)12-14-19/h5-6,8-9,11-14H,4,7,10,15-16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide has a molecular weight of 447.56 g/mol, XLogP of 2.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 24616235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).