N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C17H19ClN4O5S2 — CID 24978642

IUPACN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H19ClN4O5S2/c1-11-3-8-14(28-11)17(25)19-9-15(23)20-21-16(24)10-22(2)29(26,27)13-6-4-12(18)5-7-13/h3-8H,9-10H2,1-2H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyAZAUSEVYUOKCEZ-UHFFFAOYSA-N
MW458.95 g/mol
LogP0.91
Rot. Bonds7

About N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 24978642) has the molecular formula C17H19ClN4O5S2 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID24978642
Molecular FormulaC17H19ClN4O5S2
Molecular Weight458.95 g/mol
Exact Mass458.05
IUPAC NameN-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H19ClN4O5S2/c1-11-3-8-14(28-11)17(25)19-9-15(23)20-21-16(24)10-22(2)29(26,27)13-6-4-12(18)5-7-13/h3-8H,9-10H2,1-2H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyAZAUSEVYUOKCEZ-UHFFFAOYSA-N
XLogP0.91
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 24978642) is N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is AZAUSEVYUOKCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O5S2/c1-11-3-8-14(28-11)17(25)19-9-15(23)20-21-16(24)10-22(2)29(26,27)13-6-4-12(18)5-7-13/h3-8H,9-10H2,1-2H3,(H,19,25)(H,20,23)(H,21,24).
What are the key properties of N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24978642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).