4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

C20H23N3O4S — CID 55665995

IUPAC4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-13(14-5-11-18(12-6-14)28(2,26)27)21-19(24)15-3-7-16(8-4-15)22-20(25)23-17-9-10-17/h3-8,11-13,17H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyIYIMOGGJFPKAAE-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.87
Rot. Bonds6

About 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide

4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 55665995) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID55665995
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C20H23N3O4S/c1-13(14-5-11-18(12-6-14)28(2,26)27)21-19(24)15-3-7-16(8-4-15)22-20(25)23-17-9-10-17/h3-8,11-13,17H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyIYIMOGGJFPKAAE-UHFFFAOYSA-N
XLogP2.87
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
4-(cyclohexylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180621
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
1-(1-acetylpiperidin-4-yl)-3-(4-methylsulfonylphenyl)urea
CID 25069812
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 129397268
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-(cyclopropylcarbamoylamino)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55677877
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 55665995) is 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is IYIMOGGJFPKAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-13(14-5-11-18(12-6-14)28(2,26)27)21-19(24)15-3-7-16(8-4-15)22-20(25)23-17-9-10-17/h3-8,11-13,17H,9-10H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 55665995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).