N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide

C19H25N5O4S — CID 29421741

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(NC(=O)C3CC3)s2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N5O4S/c1-3-5-10-24-15(20)14(17(26)22-19(24)28)23(4-2)18(27)12-8-9-13(29-12)21-16(25)11-6-7-11/h8-9,11H,3-7,10,20H2,1-2H3,(H,21,25)(H,22,26,28)
InChIKeyVPAJDWNYLYURKF-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.00
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide (PubChem CID 29421741) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide
PubChem CID29421741
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(NC(=O)C3CC3)s2)c(=O)[nH]c1=O
InChIInChI=1S/C19H25N5O4S/c1-3-5-10-24-15(20)14(17(26)22-19(24)28)23(4-2)18(27)12-8-9-13(29-12)21-16(25)11-6-7-11/h8-9,11H,3-7,10,20H2,1-2H3,(H,21,25)(H,22,26,28)
InChIKeyVPAJDWNYLYURKF-UHFFFAOYSA-N
XLogP2.00
TPSA130.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
CID 51155080
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-5-methylfuran-2-carboxamide
CID 18077285
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
CID 9094343
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 26206434
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202121
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 29309904
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide (CID 29421741) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2ccc(NC(=O)C3CC3)s2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide?
The InChIKey is VPAJDWNYLYURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-3-5-10-24-15(20)14(17(26)22-19(24)28)23(4-2)18(27)12-8-9-13(29-12)21-16(25)11-6-7-11/h8-9,11H,3-7,10,20H2,1-2H3,(H,21,25)(H,22,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-(cyclopropanecarbonylamino)-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 29421741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).