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

C20H25N5O3S — CID 44560669

IUPAC2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C20H25N5O3S/c1-25(2)19(27)13-7-5-12(6-8-13)16-10-15(18(29-16)24-20(21)28)17(26)23-14-4-3-9-22-11-14/h5-8,10,14,22H,3-4,9,11H2,1-2H3,(H,23,26)(H3,21,24,28)/t14-/m0/s1
InChIKeyQNLRIICTRHHTHA-AWEZNQCLSA-N
MW415.52 g/mol
LogP2.09
Rot. Bonds5

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

2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 44560669) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID44560669
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1
InChIInChI=1S/C20H25N5O3S/c1-25(2)19(27)13-7-5-12(6-8-13)16-10-15(18(29-16)24-20(21)28)17(26)23-14-4-3-9-22-11-14/h5-8,10,14,22H,3-4,9,11H2,1-2H3,(H,23,26)(H3,21,24,28)/t14-/m0/s1
InChIKeyQNLRIICTRHHTHA-AWEZNQCLSA-N
XLogP2.09
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 44560669) is 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is CN(C)C(=O)c1ccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is QNLRIICTRHHTHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-25(2)19(27)13-7-5-12(6-8-13)16-10-15(18(29-16)24-20(21)28)17(26)23-14-4-3-9-22-11-14/h5-8,10,14,22H,3-4,9,11H2,1-2H3,(H,23,26)(H3,21,24,28)/t14-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.09, 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-(dimethylcarbamoyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 44560669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).