methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate

C17H19N3O5S — CID 55846947

IUPACmethyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-25-17(22)19-14-8-6-12(7-9-14)11-18-16(21)13-4-3-5-15(10-13)20-26(2,23)24/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXKVZXQHFWAHSAX-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.17
Rot. Bonds6

About methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate (PubChem CID 55846947) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
PubChem CID55846947
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Namemethyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C17H19N3O5S/c1-25-17(22)19-14-8-6-12(7-9-14)11-18-16(21)13-4-3-5-15(10-13)20-26(2,23)24/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyXKVZXQHFWAHSAX-UHFFFAOYSA-N
XLogP2.17
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
3-(methanesulfonamido)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 24599016
methyl N-[4-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 55847451
tert-butyl N-[4-[[(3-bromobenzoyl)amino]methyl]phenyl]carbamate
CID 141021076
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
methyl 4-[[3-(methanesulfonamido)phenyl]methylcarbamoylamino]benzoate
CID 47039865
methyl N-[4-[[(2,3-dimethyl-1H-indole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 60517718

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate (CID 55846947) is methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate?
The InChIKey is XKVZXQHFWAHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-25-17(22)19-14-8-6-12(7-9-14)11-18-16(21)13-4-3-5-15(10-13)20-26(2,23)24/h3-10,20H,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate has a molecular weight of 377.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55846947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).