2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C23H29N5O3S — CID 11236402

IUPAC2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C23H29N5O3S/c24-23(31)27-21-18(20(29)26-17-5-4-10-25-14-17)13-19(32-21)15-6-8-16(9-7-15)22(30)28-11-2-1-3-12-28/h6-9,13,17,25H,1-5,10-12,14H2,(H,26,29)(H3,24,27,31)/t17-/m0/s1
InChIKeyOJCFXBBBONFKSW-KRWDZBQOSA-N
MW455.58 g/mol
LogP3.01
Rot. Bonds5

About 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 11236402) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID11236402
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C23H29N5O3S/c24-23(31)27-21-18(20(29)26-17-5-4-10-25-14-17)13-19(32-21)15-6-8-16(9-7-15)22(30)28-11-2-1-3-12-28/h6-9,13,17,25H,1-5,10-12,14H2,(H,26,29)(H3,24,27,31)/t17-/m0/s1
InChIKeyOJCFXBBBONFKSW-KRWDZBQOSA-N
XLogP3.01
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

Azd7762
CID 11152667
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
1-(3-(Methylcarbamoyl)-5-phenylthiophen-2-yl)urea
CID 9878679
3-(carbamoylamino)-5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 57519527
N-(3-Benzoyl-5-methyl-thiophen-2-yl)-2-diethylamino-acetamide
CID 857635
2-(Benzoylamino)-N-isopropyl-4,5-dimethyl-3-thiophenecarboxamide
CID 569946
2-(Carbamoylamino)-5-(4-ethylphenyl)thiophene-3-carboxamide
CID 9879057
1-(3-Carbamoyl-5-(4-(piperidin-1-ylmethyl)phenyl)thiophen-2-yl)urea
CID 10109058
1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-chlorophenyl)thiophen-2-yl)urea
CID 11303495
(S)-1-(5-(4-fluorophenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11349000
5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide
CID 16041610

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 11236402) is 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is OJCFXBBBONFKSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N5O3S/c24-23(31)27-21-18(20(29)26-17-5-4-10-25-14-17)13-19(32-21)15-6-8-16(9-7-15)22(30)28-11-2-1-3-12-28/h6-9,13,17,25H,1-5,10-12,14H2,(H,26,29)(H3,24,27,31)/t17-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(piperidine-1-carbonyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 11236402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).