N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

C18H28N6OS — CID 55462827

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(c1ccc(NC(=O)CSc2nnnn2CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H28N6OS/c1-6-23(14(4)5)16-9-7-15(8-10-16)19-17(25)12-26-18-20-21-22-24(18)11-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,25)
InChIKeyAYCMUUCNXVHPAM-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.29
Rot. Bonds9

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 55462827) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID55462827
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
SMILESCCN(c1ccc(NC(=O)CSc2nnnn2CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H28N6OS/c1-6-23(14(4)5)16-9-7-15(8-10-16)19-17(25)12-26-18-20-21-22-24(18)11-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,25)
InChIKeyAYCMUUCNXVHPAM-UHFFFAOYSA-N
XLogP3.29
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2615999
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
N-(4-acetamidophenyl)-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
CID 1239751
3-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 35723023
N-[4-(diethylamino)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3615149
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41425707
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 51270218
N-(2-chloro-3-pyridinyl)-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 36795150
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 16517859
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536320
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 37045599

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide (CID 55462827) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is CCN(c1ccc(NC(=O)CSc2nnnn2CC(C)C)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is AYCMUUCNXVHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-6-23(14(4)5)16-9-7-15(8-10-16)19-17(25)12-26-18-20-21-22-24(18)11-13(2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,19,25).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 376.53 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 55462827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).