propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate

C18H20N4O6S — CID 86582902

IUPACpropan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc(NC(=O)OC(C)C)c1
InChIInChI=1S/C18H20N4O6S/c1-4-27-17(25)22-15(24)12-6-8-29-16(12)21-14(23)11-5-7-19-13(9-11)20-18(26)28-10(2)3/h5-10H,4H2,1-3H3,(H,21,23)(H,19,20,26)(H,22,24,25)
InChIKeyQAQXTSZQBKLNLR-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.24
Rot. Bonds6

About propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate

propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate (PubChem CID 86582902) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
PubChem CID86582902
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC Namepropan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc(NC(=O)OC(C)C)c1
InChIInChI=1S/C18H20N4O6S/c1-4-27-17(25)22-15(24)12-6-8-29-16(12)21-14(23)11-5-7-19-13(9-11)20-18(26)28-10(2)3/h5-10H,4H2,1-3H3,(H,21,23)(H,19,20,26)(H,22,24,25)
InChIKeyQAQXTSZQBKLNLR-UHFFFAOYSA-N
XLogP3.24
TPSA135.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167124
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(2-cyclopropyl-1,3-benzothiazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464997
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978
ethyl N-[2-[[4-(dimethylamino)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate
CID 121464893
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate?
The IUPAC name of propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate (CID 86582902) is propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate?
The canonical SMILES for propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccnc(NC(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate?
The InChIKey is QAQXTSZQBKLNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-4-27-17(25)22-15(24)12-6-8-29-16(12)21-14(23)11-5-7-19-13(9-11)20-18(26)28-10(2)3/h5-10H,4H2,1-3H3,(H,21,23)(H,19,20,26)(H,22,24,25).
What are the key properties of propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate?
propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate has a molecular weight of 420.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[[3-(ethoxycarbonylcarbamoyl)thiophen-2-yl]carbamoyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 86582902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).