N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide

C21H24N2O2S — CID 46468865

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14(22-20(24)17-5-3-15(4-6-17)13-26-2)16-9-11-19(12-10-16)23-21(25)18-7-8-18/h3-6,9-12,14,18H,7-8,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPUGNTTUJEGPHOV-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.39
Rot. Bonds7

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 46468865) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID46468865
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C21H24N2O2S/c1-14(22-20(24)17-5-3-15(4-6-17)13-26-2)16-9-11-19(12-10-16)23-21(25)18-7-8-18/h3-6,9-12,14,18H,7-8,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPUGNTTUJEGPHOV-UHFFFAOYSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
CID 46468399
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide (CID 46468865) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is PUGNTTUJEGPHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(22-20(24)17-5-3-15(4-6-17)13-26-2)16-9-11-19(12-10-16)23-21(25)18-7-8-18/h3-6,9-12,14,18H,7-8,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 368.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 46468865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).