N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

C14H20N2O4S — CID 75462168

IUPACN-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CNS(C)(=O)=O)C2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-3-11(4-8-13)10-16(12-5-6-12)14(17)9-15-21(2,18)19/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3
InChIKeyMZGSKJBYFBHTQA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.74
Rot. Bonds7

About N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 75462168) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID75462168
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CNS(C)(=O)=O)C2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-7-3-11(4-8-13)10-16(12-5-6-12)14(17)9-15-21(2,18)19/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3
InChIKeyMZGSKJBYFBHTQA-UHFFFAOYSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
tert-butyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596382
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
benzyl N-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]carbamate
CID 60596354
2-tert-butylsulfanyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 134052775
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201
5-(carbamoylamino)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pentanamide
CID 31449017
[4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 46110939

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide (CID 75462168) is N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CNS(C)(=O)=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is MZGSKJBYFBHTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-7-3-11(4-8-13)10-16(12-5-6-12)14(17)9-15-21(2,18)19/h3-4,7-8,12,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75462168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).