1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C21H29N3O4S — CID 22955785

IUPAC1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC(C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C21H29N3O4S/c1-6-24(7-2)19-12-13-20(15(3)14-19)22-21(25)28-16(4)17-8-10-18(11-9-17)23-29(5,26)27/h8-14,16,23H,6-7H2,1-5H3,(H,22,25)
InChIKeyTUSCPRPNAUBRLH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.52
Rot. Bonds8

About 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate

1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 22955785) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID22955785
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC(C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C21H29N3O4S/c1-6-24(7-2)19-12-13-20(15(3)14-19)22-21(25)28-16(4)17-8-10-18(11-9-17)23-29(5,26)27/h8-14,16,23H,6-7H2,1-5H3,(H,22,25)
InChIKeyTUSCPRPNAUBRLH-UHFFFAOYSA-N
XLogP4.52
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
[2-(benzenesulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22086014
[2-(chloromethylsulfonyl)-1-phenylethyl] N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22955870
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
(2-cyano-1-phenylethyl) N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948519
N-[4-(diethylamino)phenyl]methanesulfonamide;hydrochloride
CID 45050507
[6-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-1-yl] N-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]carbamate
CID 22955808
N-[4-(diethylamino)-2-methylphenyl]-2-(4-propan-2-yloxyanilino)acetamide
CID 109009396
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzenesulfonamide
CID 3535359

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 22955785) is 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OC(C)c2ccc(NS(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is TUSCPRPNAUBRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-6-24(7-2)19-12-13-20(15(3)14-19)22-21(25)28-16(4)17-8-10-18(11-9-17)23-29(5,26)27/h8-14,16,23H,6-7H2,1-5H3,(H,22,25).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 419.55 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 22955785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).