N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide

C17H20N4O4S — CID 55702907

IUPACN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
SMILESCC(NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-11(12-6-8-14(9-7-12)20-17(18)23)19-16(22)13-4-3-5-15(10-13)21-26(2,24)25/h3-11,21H,1-2H3,(H,19,22)(H3,18,20,23)
InChIKeyXGOJVUQWXYAKTJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.04
Rot. Bonds6

About N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide

N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide (PubChem CID 55702907) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
PubChem CID55702907
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC NameN-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide
SMILESCC(NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C17H20N4O4S/c1-11(12-6-8-14(9-7-12)20-17(18)23)19-16(22)13-4-3-5-15(10-13)21-26(2,24)25/h3-11,21H,1-2H3,(H,19,22)(H3,18,20,23)
InChIKeyXGOJVUQWXYAKTJ-UHFFFAOYSA-N
XLogP2.04
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(methanesulfonamido)phenyl]ethyl]-3-(propanoylamino)benzamide
CID 55837471
3-(benzenesulfonamido)-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 55657574
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methanesulfonamido)benzamide
CID 55579514
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3,4-difluorobenzamide
CID 47034204
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 92676500
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
3-acetamido-N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-methylbenzamide
CID 87045343
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide (CID 55702907) is N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide is CC(NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
The InChIKey is XGOJVUQWXYAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-11(12-6-8-14(9-7-12)20-17(18)23)19-16(22)13-4-3-5-15(10-13)21-26(2,24)25/h3-11,21H,1-2H3,(H,19,22)(H3,18,20,23).
What are the key properties of N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide?
N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide has a molecular weight of 376.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 55702907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).