2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide

C18H23N5O2S — CID 10133945

IUPAC2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide
SMILESCN1CCN(Cc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)CC1
InChIInChI=1S/C18H23N5O2S/c1-22-6-8-23(9-7-22)11-12-4-2-3-5-13(12)15-10-14(16(19)24)17(26-15)21-18(20)25/h2-5,10H,6-9,11H2,1H3,(H2,19,24)(H3,20,21,25)
InChIKeyQPJOHBXEAPLRHA-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.75
Rot. Bonds5

About 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide (PubChem CID 10133945) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide
PubChem CID10133945
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide
SMILESCN1CCN(Cc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)CC1
InChIInChI=1S/C18H23N5O2S/c1-22-6-8-23(9-7-22)11-12-4-2-3-5-13(12)15-10-14(16(19)24)17(26-15)21-18(20)25/h2-5,10H,6-9,11H2,1H3,(H2,19,24)(H3,20,21,25)
InChIKeyQPJOHBXEAPLRHA-UHFFFAOYSA-N
XLogP1.75
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-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

Azd7762
CID 11152667
Tpca-1
CID 9903786
N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
2-(Carbamoylamino)-5-Phenyl-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11313946
2-(Carbamoylamino)-5-(4-Chlorophenyl)-N-[(3s)-Piperidin-3-Yl]thiophene-3-Carboxamide
CID 11451776
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
2-(Carbamoylamino)-5-[2-(2-methylphenyl)ethynyl]thiophene-3-carboxamide
CID 25137995
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(diethylamino)-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide
CID 1442554
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide (CID 10133945) is 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide is CN1CCN(Cc2ccccc2-c2cc(C(N)=O)c(NC(N)=O)s2)CC1.
What is the InChIKey of 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide?
The InChIKey is QPJOHBXEAPLRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-22-6-8-23(9-7-22)11-12-4-2-3-5-13(12)15-10-14(16(19)24)17(26-15)21-18(20)25/h2-5,10H,6-9,11H2,1H3,(H2,19,24)(H3,20,21,25).
What are the key properties of 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10133945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).