benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate

C15H21N5O4S — CID 155388439

IUPACbenzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
SMILESCc1[nH]ncc1N(CCN(C)C(=O)OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C15H21N5O4S/c1-12-14(10-17-18-12)20(25(16,22)23)9-8-19(2)15(21)24-11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,18)(H2,16,22,23)
InChIKeyULSUCTCPQZGACQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.00
Rot. Bonds7

About benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate

benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate (PubChem CID 155388439) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
PubChem CID155388439
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Namebenzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
SMILESCc1[nH]ncc1N(CCN(C)C(=O)OCc1ccccc1)S(N)(=O)=O
InChIInChI=1S/C15H21N5O4S/c1-12-14(10-17-18-12)20(25(16,22)23)9-8-19(2)15(21)24-11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,18)(H2,16,22,23)
InChIKeyULSUCTCPQZGACQ-UHFFFAOYSA-N
XLogP1.00
TPSA121.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate
CID 155388566
benzyl N-(3-chlorosulfonylpropyl)-N-methylcarbamate
CID 84715697
benzyl N-(3-chloro-3-oxopropyl)-N-methylcarbamate
CID 58137041
benzyl N-[2-[(3-chloro-2,2-dimethyl-3-oxopropanoyl)-methylamino]ethyl]-N-methylcarbamate
CID 59256379
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 130156986
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl N-methyl-N-(5-oxopentyl)carbamate
CID 86722745
benzyl N-amino-N-(2-methylsulfonylethyl)carbamate
CID 10492407
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
ethane;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate (CID 155388439) is benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate is Cc1[nH]ncc1N(CCN(C)C(=O)OCc1ccccc1)S(N)(=O)=O.
What is the InChIKey of benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
The InChIKey is ULSUCTCPQZGACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-12-14(10-17-18-12)20(25(16,22)23)9-8-19(2)15(21)24-11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,18)(H2,16,22,23).
What are the key properties of benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate?
benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate has a molecular weight of 367.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)-sulfamoylamino]ethyl]carbamate is sourced from PubChem (CID 155388439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).