N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide

C18H25N3O2S — CID 129359325

IUPACN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
SMILESCSC1(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CCC1
InChIInChI=1S/C18H25N3O2S/c1-12(19-16(22)18(24-2)10-3-11-18)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyWUPITSFXBMIWOD-GFCCVEGCSA-N
MW347.48 g/mol
LogP3.43
Rot. Bonds6

About N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide

N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide (PubChem CID 129359325) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
PubChem CID129359325
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
SMILESCSC1(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CCC1
InChIInChI=1S/C18H25N3O2S/c1-12(19-16(22)18(24-2)10-3-11-18)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22)(H2,20,21,23)/t12-/m1/s1
InChIKeyWUPITSFXBMIWOD-GFCCVEGCSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925872
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97317392

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide?
The IUPAC name of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide (CID 129359325) is N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide is CSC1(C(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CCC1.
What is the InChIKey of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide?
The InChIKey is WUPITSFXBMIWOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-12(19-16(22)18(24-2)10-3-11-18)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,12,15H,3,8-11H2,1-2H3,(H,19,22)(H2,20,21,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide?
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide is sourced from PubChem (CID 129359325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).